[molFile 1] Adenine Thymine Conventional hydrogen bonding [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
CC1=CNC2=O[H]c3nc4[nH]cnc4c5N[H]O=C1N2[H]n35
-1.9050
-0.1415
-0.3371
N
-2.5918
-1.2637
0.1888
C
-3.8647
-1.0597
0.8087
N
-4.3221
0.2421
1.0723
C
-3.6724
1.3300
0.5931
C
-2.4187
1.1718
-0.1640
C
-1.7571
2.0828
-0.6582
O
-2.1452
-2.4005
0.0876
O
-4.1888
2.7021
0.8142
C
0.5632
-0.4305
-1.6573
N
1.1837
-1.6595
-1.6128
C
2.4143
-1.9257
-2.0782
N
3.0703
-0.8447
-2.6323
C
2.5130
0.4507
-2.7272
C
1.1959
0.6475
-2.2290
C
4.3521
-0.7655
-3.1895
N
4.5465
0.5718
-3.6053
C
3.4565
1.3009
-3.3320
N
0.4796
1.8173
-2.3668
N
-4.2591
-1.8119
1.3273
H
-5.2556
0.3238
1.6470
H
-0.3376
1.9414
-1.7900
H
0.6115
-2.4796
-1.1543
H
-3.4522
3.3137
1.3530
H
-5.1191
2.7059
1.3974
H
-4.3913
3.1996
-0.1441
H
-1.0071
-0.2933
-0.8300
H
5.0020
-1.5040
-3.2774
H
5.4523
0.9580
-4.0809
H
1.0197
2.6303
-2.5371
H
cml_AT_WC_20010511111930_a_ 1
cml_AT_WC_20010511111930_a_ 2
1
cml_AT_WC_20010511111930_a_ 1
cml_AT_WC_20010511111930_a_ 6
1
cml_AT_WC_20010511111930_a_ 1
cml_AT_WC_20010511111930_a_27
1
cml_AT_WC_20010511111930_a_ 2
cml_AT_WC_20010511111930_a_ 3
1
cml_AT_WC_20010511111930_a_ 2
cml_AT_WC_20010511111930_a_ 8
2
cml_AT_WC_20010511111930_a_ 3
cml_AT_WC_20010511111930_a_ 4
1
cml_AT_WC_20010511111930_a_ 3
cml_AT_WC_20010511111930_a_20
1
cml_AT_WC_20010511111930_a_ 4
cml_AT_WC_20010511111930_a_ 5
2
cml_AT_WC_20010511111930_a_ 4
cml_AT_WC_20010511111930_a_21
1
cml_AT_WC_20010511111930_a_ 5
cml_AT_WC_20010511111930_a_ 6
1
cml_AT_WC_20010511111930_a_ 5
cml_AT_WC_20010511111930_a_ 9
1
cml_AT_WC_20010511111930_a_ 6
cml_AT_WC_20010511111930_a_ 7
2
cml_AT_WC_20010511111930_a_ 7
cml_AT_WC_20010511111930_a_22
1
cml_AT_WC_20010511111930_a_ 8
cml_AT_WC_20010511111930_a_23
1
cml_AT_WC_20010511111930_a_ 9
cml_AT_WC_20010511111930_a_24
1
cml_AT_WC_20010511111930_a_ 9
cml_AT_WC_20010511111930_a_25
1
cml_AT_WC_20010511111930_a_ 9
cml_AT_WC_20010511111930_a_26
1
cml_AT_WC_20010511111930_a_10
cml_AT_WC_20010511111930_a_11
1
cml_AT_WC_20010511111930_a_10
cml_AT_WC_20010511111930_a_15
2
cml_AT_WC_20010511111930_a_10
cml_AT_WC_20010511111930_a_27
1
cml_AT_WC_20010511111930_a_11
cml_AT_WC_20010511111930_a_12
2
cml_AT_WC_20010511111930_a_11
cml_AT_WC_20010511111930_a_23
1
cml_AT_WC_20010511111930_a_12
cml_AT_WC_20010511111930_a_13
1
cml_AT_WC_20010511111930_a_13
cml_AT_WC_20010511111930_a_14
2
cml_AT_WC_20010511111930_a_13
cml_AT_WC_20010511111930_a_16
1
cml_AT_WC_20010511111930_a_14
cml_AT_WC_20010511111930_a_15
1
cml_AT_WC_20010511111930_a_14
cml_AT_WC_20010511111930_a_18
1
cml_AT_WC_20010511111930_a_15
cml_AT_WC_20010511111930_a_19
1
cml_AT_WC_20010511111930_a_16
cml_AT_WC_20010511111930_a_17
1
cml_AT_WC_20010511111930_a_16
cml_AT_WC_20010511111930_a_28
1
cml_AT_WC_20010511111930_a_17
cml_AT_WC_20010511111930_a_18
2
cml_AT_WC_20010511111930_a_17
cml_AT_WC_20010511111930_a_29
1
cml_AT_WC_20010511111930_a_19
cml_AT_WC_20010511111930_a_22
1
cml_AT_WC_20010511111930_a_19
cml_AT_WC_20010511111930_a_30
1
[molFile 1] Anthracene Resorcinol with cyclohexadiene and ethyl acrylate in cavity [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
CCOC(=O)C=C.CCOC(=O)C=C.Oc1cc(O)cc(c1)c2c3ccccc3c(c4cc(O)cc(O)c4)c5ccccc25.Oc1cc(O)cc(c1)c2c3ccccc3c(c4cc(O)cc(O)c4)c5ccccc25.Oc1cc(O)cc(c1)c2c3ccccc3c(c4cc(O)cc(O)c4)c5ccccc25.Oc1cc(O)cc(c1)c2c3ccccc3c(c4cc(O)cc(O)c4)c5ccccc25.C1CC=CC=C1
-0.5997
-3.5968
1.0013
O
1.4769
-3.6316
0.2018
O
1.0616
-4.5387
-0.8775
C
0.6022
-3.1243
1.2472
C
1.1714
-1.9598
2.0697
C
0.5514
-2.0505
2.9012
C
2.2377
-4.4259
-1.7610
C
0.8369
-5.4472
-0.5912
H
0.1809
-4.2322
-1.3002
H
2.0847
-1.8037
1.8618
H
-0.5160
-1.7717
2.9519
H
0.8080
-1.6176
3.9183
H
2.3382
-3.4977
-1.9994
H
2.9678
-4.7458
-1.3275
H
2.0734
-4.9119
-2.5838
H
-2.1952
-10.5597
3.6267
O
-4.1580
-6.6773
1.6719
O
8.2385
-6.7528
1.1695
O
6.2623
-2.8565
-0.7097
O
-0.8022
-8.9003
2.7036
C
-2.0837
-9.3422
2.9781
C
-3.2016
-8.6164
2.6003
C
-3.0294
-7.4166
2.0077
C
-1.7528
-6.8944
1.6874
C
-0.6649
-7.6494
2.0725
C
0.7434
-7.1378
1.7697
C
1.3216
-7.4435
0.5169
C
0.6261
-8.2098
-0.4548
C
1.2017
-8.4798
-1.6266
C
2.5797
-8.0217
-1.9682
C
3.2508
-7.3470
-1.0550
C
2.6543
-6.9891
0.1818
C
3.3645
-6.2340
1.2178
C
2.7612
-5.9034
2.4196
C
3.4367
-5.2143
3.4734
C
2.8716
-4.8976
4.6541
C
1.5727
-5.3307
4.8742
C
0.8819
-6.0495
3.9486
C
1.4162
-6.3844
2.6545
C
4.7124
-5.7369
0.8708
C
5.8419
-6.4941
1.2018
C
7.1213
-6.0604
0.8729
C
7.2761
-4.8252
0.2338
C
6.1591
-4.0647
-0.0719
C
4.8729
-4.5417
0.2361
C
-2.9581
-10.8651
3.4603
H
-3.8865
-5.8420
1.2557
H
8.0243
-7.6071
1.3708
H
7.0949
-2.6839
-0.8027
H
0.0414
-9.4925
2.9300
H
-4.1607
-8.9526
2.8163
H
-1.7030
-5.9442
1.0327
H
-0.4011
-8.5414
-0.2983
H
0.6334
-8.6043
-2.4400
H
3.0184
-8.2314
-2.9548
H
4.2892
-7.0482
-1.2598
H
4.2950
-5.0098
3.3244
H
3.3615
-4.4918
5.4843
H
1.2328
-5.3042
5.6807
H
0.2070
-6.1778
3.9705
H
5.7362
-7.3417
1.5387
H
8.2284
-4.4016
0.0621
H
3.9973
-3.9449
-0.1466
H
4.2487
-0.9493
-0.6681
O
3.5472
3.7653
-0.6143
O
15.4824
0.7742
-1.0562
O
14.8144
5.4600
-0.9454
O
6.1470
0.5482
-0.6507
C
4.7793
0.3026
-0.6398
C
3.9052
1.3532
-0.6058
C
4.4077
2.6542
-0.6134
C
5.7697
2.8863
-0.6181
C
6.6410
1.8347
-0.6606
C
8.1270
2.0579
-0.7437
C
8.7454
2.1672
-1.9286
C
8.0436
2.0158
-3.1717
C
8.6742
2.1403
-4.3900
C
10.0354
2.3527
-4.4970
C
10.7654
2.4228
-3.3451
C
10.1775
2.3751
-2.0376
C
10.9362
2.4515
-0.8866
C
10.3078
2.3951
0.4242
C
11.0580
2.4619
1.6512
C
10.4638
2.3915
2.8198
C
8.9946
2.1891
2.8694
C
8.2660
2.0695
1.7502
C
8.8854
2.1768
0.4682
C
12.4019
2.6845
-0.9477
C
13.2824
1.5955
-1.0017
C
14.6550
1.8558
-1.0367
C
15.1539
3.1107
-1.0265
C
14.2750
4.1968
-0.9510
C
12.8871
3.9900
-0.9184
C
5.0565
-1.7878
-0.5934
H
2.3777
3.5131
-0.7552
H
16.2038
1.0316
-1.0260
H
15.3030
5.5817
-1.7768
H
6.6831
-0.1605
-0.7836
H
3.0006
1.0975
-0.5343
H
6.1512
3.7246
-0.6543
H
7.1816
1.9731
-3.1598
H
8.2334
1.8894
-5.0305
H
10.5438
2.1464
-5.3427
H
11.7280
2.5462
-3.4104
H
12.1688
2.6775
1.6529
H
11.0454
2.4907
3.7483
H
8.5737
2.2114
3.7808
H
7.1817
1.8970
1.8200
H
12.9568
0.5808
-0.9394
H
16.2408
3.2771
-1.0678
H
12.2489
4.6711
-0.9506
H
-14.5621
-5.4624
2.9975
O
-15.3781
-1.0887
1.2864
O
-3.4123
-3.9887
1.3152
O
-4.2020
0.3362
-0.4414
O
-12.7174
-4.1242
2.1893
C
-14.0693
-4.3233
2.4408
C
-14.9662
-3.3398
2.1287
C
-14.4981
-2.1413
1.5908
C
-13.1522
-1.9570
1.3393
C
-12.2573
-2.9382
1.6600
C
-10.7781
-2.7361
1.4684
C
-10.0198
-2.2098
2.4410
C
-10.5573
-1.8727
3.7290
C
-9.7828
-1.3202
4.7253
C
-8.4245
-1.1161
4.5751
C
-7.8456
-1.4959
3.3983
C
-8.5907
-2.0107
2.2861
C
-7.9832
-2.3852
1.1036
C
-8.7684
-2.9087
-0.0034
C
-8.1791
-3.3198
-1.2506
C
-8.9122
-3.8046
-2.2260
C
-10.3710
-3.9755
-2.0139
C
-10.9517
-3.6537
-0.8481
C
-10.1797
-3.0934
0.2144
C
-6.5277
-2.1812
0.8908
C
-5.6212
-3.1937
1.2349
C
-4.2613
-2.9721
0.9994
C
-3.7979
-1.8230
0.4629
C
-4.7056
-0.8217
0.0995
C
-6.0815
-0.9921
0.3193
C
-13.8249
-6.0205
3.1772
H
-16.2408
-1.3718
1.5374
H
-2.7068
-3.7785
1.1021
H
-4.9331
0.9426
-0.6469
H
-12.1523
-4.7459
2.5081
H
-15.8660
-3.5818
2.2708
H
-12.7893
-1.1744
1.0139
H
-11.4130
-1.8958
3.8411
H
-10.1345
-1.3046
5.4625
H
-7.8098
-1.0062
5.3667
H
-6.8856
-1.3802
3.2925
H
-7.0825
-3.1472
-1.4707
H
-8.4503
-4.0891
-3.1829
H
-10.9025
-4.2823
-2.8083
H
-12.0279
-3.8314
-0.7067
H
-5.9276
-4.1507
1.5947
H
-2.7173
-1.6716
0.3214
H
-6.7267
-0.3325
0.1757
H
-6.2757
2.1341
-1.0277
O
-8.0728
6.5105
-0.4242
O
4.2882
6.3286
-1.4789
O
2.4682
10.6903
-0.9487
O
-4.8188
3.9837
-0.9676
C
-6.1136
3.5022
-0.8965
C
-7.1929
4.3431
-0.6788
C
-6.9770
5.6727
-0.6000
C
-5.6835
6.2454
-0.6577
C
-4.6343
5.3756
-0.8679
C
-3.2115
5.9289
-0.9542
C
-2.4750
6.0959
0.2400
C
-3.0252
5.7615
1.5047
C
-2.3018
5.9318
2.6120
C
-0.9035
6.4505
2.5845
C
-0.3677
6.7223
1.4103
C
-1.1224
6.6098
0.2138
C
-0.5649
6.9097
-1.1084
C
-1.3208
6.7851
-2.2617
C
-0.7989
7.0175
-3.5711
C
-1.5143
6.8874
-4.7048
C
-2.8196
6.4353
-4.5852
C
-3.3721
6.1281
-3.3803
C
-2.6730
6.2837
-2.1322
C
0.8034
7.4676
-1.1415
C
1.9003
6.6146
-1.3056
C
3.2003
7.1081
-1.3235
C
3.4036
8.4884
-1.2128
C
2.3156
9.3347
-1.0745
C
1.0127
8.8085
-1.0207
C
-7.0046
1.9304
-0.6663
H
-7.7715
7.4339
-0.3850
H
4.0710
5.4660
-1.3206
H
3.3018
10.8651
-1.0309
H
-3.9963
3.3297
-1.0611
H
-8.1633
3.9739
-0.6332
H
-5.5756
7.3695
-0.4140
H
-4.0556
5.4206
1.6121
H
-2.7611
6.1317
3.4772
H
-0.3331
6.5930
3.5143
H
0.6860
7.0329
1.3566
H
0.0660
7.2423
-3.6171
H
-1.1414
6.9445
-5.6807
H
-3.2580
6.1688
-5.2947
H
-4.0415
6.0167
-3.2690
H
1.7740
5.7053
-1.2882
H
4.3595
8.9226
-1.3305
H
0.1777
9.5258
-0.7808
H
0.7293
3.0874
-1.1949
O
-1.3351
2.5921
-1.7755
O
-0.9115
2.5274
-3.1674
C
-0.4171
2.8455
-0.9800
C
-1.0210
2.8510
0.4433
C
-0.1718
2.9745
1.5420
C
-2.0511
2.1165
-4.0500
C
-0.6403
3.4151
-3.4714
H
-0.1773
1.9465
-3.2881
H
-1.9868
2.7756
0.6002
H
-0.5795
2.9716
2.4369
H
0.7194
3.0497
1.4277
H
-2.8435
2.6571
-3.9714
H
-1.8474
2.0355
-4.9865
H
-2.3730
1.1877
-3.7979
H
-1.1918
-1.2023
-2.6517
C
-0.4509
-0.8574
-1.6038
C
0.9291
-0.7287
-1.6788
C
1.5257
-0.8427
-2.9080
C
0.8872
-1.2458
-4.1112
C
-0.5272
-1.4640
-3.8905
C
-2.0146
-1.3833
-2.5465
H
-1.1869
-0.3826
-0.9000
H
1.5273
-0.5306
-0.7770
H
2.4844
-1.1178
-2.8927
H
1.1109
-1.9347
-4.5690
H
1.0249
-0.4585
-4.8859
H
-0.6226
-1.8706
-4.5856
H
-1.1062
-1.0096
-4.7253
H
cml_res_20010511111930_a_ 1
cml_res_20010511111930_a_ 4
2
cml_res_20010511111930_a_ 2
cml_res_20010511111930_a_ 3
1
cml_res_20010511111930_a_ 2
cml_res_20010511111930_a_ 4
1
cml_res_20010511111930_a_ 3
cml_res_20010511111930_a_ 7
1
cml_res_20010511111930_a_ 3
cml_res_20010511111930_a_ 8
1
cml_res_20010511111930_a_ 3
cml_res_20010511111930_a_ 9
1
cml_res_20010511111930_a_ 4
cml_res_20010511111930_a_ 5
1
cml_res_20010511111930_a_ 5
cml_res_20010511111930_a_ 6
2
cml_res_20010511111930_a_ 5
cml_res_20010511111930_a_10
1
cml_res_20010511111930_a_ 6
cml_res_20010511111930_a_11
1
cml_res_20010511111930_a_ 6
cml_res_20010511111930_a_12
1
cml_res_20010511111930_a_ 7
cml_res_20010511111930_a_13
1
cml_res_20010511111930_a_ 7
cml_res_20010511111930_a_14
1
cml_res_20010511111930_a_ 7
cml_res_20010511111930_a_15
1
cml_res_20010511111930_a_16
cml_res_20010511111930_a_21
1
cml_res_20010511111930_a_16
cml_res_20010511111930_a_46
1
cml_res_20010511111930_a_17
cml_res_20010511111930_a_23
1
cml_res_20010511111930_a_17
cml_res_20010511111930_a_47
1
cml_res_20010511111930_a_18
cml_res_20010511111930_a_42
1
cml_res_20010511111930_a_18
cml_res_20010511111930_a_48
1
cml_res_20010511111930_a_19
cml_res_20010511111930_a_44
1
cml_res_20010511111930_a_19
cml_res_20010511111930_a_49
1
cml_res_20010511111930_a_20
cml_res_20010511111930_a_21
2
cml_res_20010511111930_a_20
cml_res_20010511111930_a_25
1
cml_res_20010511111930_a_20
cml_res_20010511111930_a_50
1
cml_res_20010511111930_a_21
cml_res_20010511111930_a_22
1
cml_res_20010511111930_a_22
cml_res_20010511111930_a_23
2
cml_res_20010511111930_a_22
cml_res_20010511111930_a_51
1
cml_res_20010511111930_a_23
cml_res_20010511111930_a_24
1
cml_res_20010511111930_a_24
cml_res_20010511111930_a_25
2
cml_res_20010511111930_a_24
cml_res_20010511111930_a_52
1
cml_res_20010511111930_a_25
cml_res_20010511111930_a_26
1
cml_res_20010511111930_a_26
cml_res_20010511111930_a_27
2
cml_res_20010511111930_a_26
cml_res_20010511111930_a_39
1
cml_res_20010511111930_a_27
cml_res_20010511111930_a_28
1
cml_res_20010511111930_a_27
cml_res_20010511111930_a_32
1
cml_res_20010511111930_a_28
cml_res_20010511111930_a_29
2
cml_res_20010511111930_a_28
cml_res_20010511111930_a_53
1
cml_res_20010511111930_a_29
cml_res_20010511111930_a_30
1
cml_res_20010511111930_a_29
cml_res_20010511111930_a_54
1
cml_res_20010511111930_a_30
cml_res_20010511111930_a_31
2
cml_res_20010511111930_a_30
cml_res_20010511111930_a_55
1
cml_res_20010511111930_a_31
cml_res_20010511111930_a_32
1
cml_res_20010511111930_a_31
cml_res_20010511111930_a_56
1
cml_res_20010511111930_a_32
cml_res_20010511111930_a_33
2
cml_res_20010511111930_a_33
cml_res_20010511111930_a_34
1
cml_res_20010511111930_a_33
cml_res_20010511111930_a_40
1
cml_res_20010511111930_a_34
cml_res_20010511111930_a_35
2
cml_res_20010511111930_a_34
cml_res_20010511111930_a_39
1
cml_res_20010511111930_a_35
cml_res_20010511111930_a_36
1
cml_res_20010511111930_a_35
cml_res_20010511111930_a_57
1
cml_res_20010511111930_a_36
cml_res_20010511111930_a_37
2
cml_res_20010511111930_a_36
cml_res_20010511111930_a_58
1
cml_res_20010511111930_a_37
cml_res_20010511111930_a_38
1
cml_res_20010511111930_a_37
cml_res_20010511111930_a_59
1
cml_res_20010511111930_a_38
cml_res_20010511111930_a_39
2
cml_res_20010511111930_a_38
cml_res_20010511111930_a_60
1
cml_res_20010511111930_a_40
cml_res_20010511111930_a_41
2
cml_res_20010511111930_a_40
cml_res_20010511111930_a_45
1
cml_res_20010511111930_a_41
cml_res_20010511111930_a_42
1
cml_res_20010511111930_a_41
cml_res_20010511111930_a_61
1
cml_res_20010511111930_a_42
cml_res_20010511111930_a_43
2
cml_res_20010511111930_a_43
cml_res_20010511111930_a_44
1
cml_res_20010511111930_a_43
cml_res_20010511111930_a_62
1
cml_res_20010511111930_a_44
cml_res_20010511111930_a_45
2
cml_res_20010511111930_a_45
cml_res_20010511111930_a_63
1
cml_res_20010511111930_a_64
cml_res_20010511111930_a_69
1
cml_res_20010511111930_a_64
cml_res_20010511111930_a_94
1
cml_res_20010511111930_a_65
cml_res_20010511111930_a_71
1
cml_res_20010511111930_a_65
cml_res_20010511111930_a_95
1
cml_res_20010511111930_a_66
cml_res_20010511111930_a_90
1
cml_res_20010511111930_a_66
cml_res_20010511111930_a_96
1
cml_res_20010511111930_a_67
cml_res_20010511111930_a_92
1
cml_res_20010511111930_a_67
cml_res_20010511111930_a_97
1
cml_res_20010511111930_a_68
cml_res_20010511111930_a_69
2
cml_res_20010511111930_a_68
cml_res_20010511111930_a_73
1
cml_res_20010511111930_a_68
cml_res_20010511111930_a_98
1
cml_res_20010511111930_a_69
cml_res_20010511111930_a_70
1
cml_res_20010511111930_a_70
cml_res_20010511111930_a_71
2
cml_res_20010511111930_a_70
cml_res_20010511111930_a_99
1
cml_res_20010511111930_a_71
cml_res_20010511111930_a_72
1
cml_res_20010511111930_a_72
cml_res_20010511111930_a_73
2
cml_res_20010511111930_a_72
cml_res_20010511111930_a_100
1
cml_res_20010511111930_a_73
cml_res_20010511111930_a_74
1
cml_res_20010511111930_a_74
cml_res_20010511111930_a_75
2
cml_res_20010511111930_a_74
cml_res_20010511111930_a_87
1
cml_res_20010511111930_a_75
cml_res_20010511111930_a_76
1
cml_res_20010511111930_a_75
cml_res_20010511111930_a_80
1
cml_res_20010511111930_a_76
cml_res_20010511111930_a_77
2
cml_res_20010511111930_a_76
cml_res_20010511111930_a_101
1
cml_res_20010511111930_a_77
cml_res_20010511111930_a_78
1
cml_res_20010511111930_a_77
cml_res_20010511111930_a_102
1
cml_res_20010511111930_a_78
cml_res_20010511111930_a_79
2
cml_res_20010511111930_a_78
cml_res_20010511111930_a_103
1
cml_res_20010511111930_a_79
cml_res_20010511111930_a_80
1
cml_res_20010511111930_a_79
cml_res_20010511111930_a_104
1
cml_res_20010511111930_a_80
cml_res_20010511111930_a_81
2
cml_res_20010511111930_a_81
cml_res_20010511111930_a_82
1
cml_res_20010511111930_a_81
cml_res_20010511111930_a_88
1
cml_res_20010511111930_a_82
cml_res_20010511111930_a_83
2
cml_res_20010511111930_a_82
cml_res_20010511111930_a_87
1
cml_res_20010511111930_a_83
cml_res_20010511111930_a_84
1
cml_res_20010511111930_a_83
cml_res_20010511111930_a_105
1
cml_res_20010511111930_a_84
cml_res_20010511111930_a_85
2
cml_res_20010511111930_a_84
cml_res_20010511111930_a_106
1
cml_res_20010511111930_a_85
cml_res_20010511111930_a_86
1
cml_res_20010511111930_a_85
cml_res_20010511111930_a_107
1
cml_res_20010511111930_a_86
cml_res_20010511111930_a_87
2
cml_res_20010511111930_a_86
cml_res_20010511111930_a_108
1
cml_res_20010511111930_a_88
cml_res_20010511111930_a_89
2
cml_res_20010511111930_a_88
cml_res_20010511111930_a_93
1
cml_res_20010511111930_a_89
cml_res_20010511111930_a_90
1
cml_res_20010511111930_a_89
cml_res_20010511111930_a_109
1
cml_res_20010511111930_a_90
cml_res_20010511111930_a_91
2
cml_res_20010511111930_a_91
cml_res_20010511111930_a_92
1
cml_res_20010511111930_a_91
cml_res_20010511111930_a_110
1
cml_res_20010511111930_a_92
cml_res_20010511111930_a_93
2
cml_res_20010511111930_a_93
cml_res_20010511111930_a_111
1
cml_res_20010511111930_a_112
cml_res_20010511111930_a_117
1
cml_res_20010511111930_a_112
cml_res_20010511111930_a_142
1
cml_res_20010511111930_a_113
cml_res_20010511111930_a_119
1
cml_res_20010511111930_a_113
cml_res_20010511111930_a_143
1
cml_res_20010511111930_a_114
cml_res_20010511111930_a_138
1
cml_res_20010511111930_a_114
cml_res_20010511111930_a_144
1
cml_res_20010511111930_a_115
cml_res_20010511111930_a_140
1
cml_res_20010511111930_a_115
cml_res_20010511111930_a_145
1
cml_res_20010511111930_a_116
cml_res_20010511111930_a_117
2
cml_res_20010511111930_a_116
cml_res_20010511111930_a_121
1
cml_res_20010511111930_a_116
cml_res_20010511111930_a_146
1
cml_res_20010511111930_a_117
cml_res_20010511111930_a_118
1
cml_res_20010511111930_a_118
cml_res_20010511111930_a_119
2
cml_res_20010511111930_a_118
cml_res_20010511111930_a_147
1
cml_res_20010511111930_a_119
cml_res_20010511111930_a_120
1
cml_res_20010511111930_a_120
cml_res_20010511111930_a_121
2
cml_res_20010511111930_a_120
cml_res_20010511111930_a_148
1
cml_res_20010511111930_a_121
cml_res_20010511111930_a_122
1
cml_res_20010511111930_a_122
cml_res_20010511111930_a_123
2
cml_res_20010511111930_a_122
cml_res_20010511111930_a_135
1
6
cml_res_20010511111930_a_123
cml_res_20010511111930_a_124
1
1
cml_res_20010511111930_a_123
cml_res_20010511111930_a_128
1
cml_res_20010511111930_a_124
cml_res_20010511111930_a_125
2
cml_res_20010511111930_a_124
cml_res_20010511111930_a_149
1
cml_res_20010511111930_a_125
cml_res_20010511111930_a_126
1
cml_res_20010511111930_a_125
cml_res_20010511111930_a_150
1
1
cml_res_20010511111930_a_126
cml_res_20010511111930_a_127
2
cml_res_20010511111930_a_126
cml_res_20010511111930_a_151
1
1
cml_res_20010511111930_a_127
cml_res_20010511111930_a_128
1
6
cml_res_20010511111930_a_127
cml_res_20010511111930_a_152
1
cml_res_20010511111930_a_128
cml_res_20010511111930_a_129
2
cml_res_20010511111930_a_129
cml_res_20010511111930_a_130
1
6
cml_res_20010511111930_a_129
cml_res_20010511111930_a_136
1
cml_res_20010511111930_a_130
cml_res_20010511111930_a_131
2
cml_res_20010511111930_a_130
cml_res_20010511111930_a_135
1
cml_res_20010511111930_a_131
cml_res_20010511111930_a_132
1
6
cml_res_20010511111930_a_131
cml_res_20010511111930_a_153
1
cml_res_20010511111930_a_132
cml_res_20010511111930_a_133
2
cml_res_20010511111930_a_132
cml_res_20010511111930_a_154
1
6
cml_res_20010511111930_a_133
cml_res_20010511111930_a_134
1
1
cml_res_20010511111930_a_133
cml_res_20010511111930_a_155
1
6
cml_res_20010511111930_a_134
cml_res_20010511111930_a_135
2
cml_res_20010511111930_a_134
cml_res_20010511111930_a_156
1
cml_res_20010511111930_a_136
cml_res_20010511111930_a_137
2
cml_res_20010511111930_a_136
cml_res_20010511111930_a_141
1
cml_res_20010511111930_a_137
cml_res_20010511111930_a_138
1
cml_res_20010511111930_a_137
cml_res_20010511111930_a_157
1
cml_res_20010511111930_a_138
cml_res_20010511111930_a_139
2
cml_res_20010511111930_a_139
cml_res_20010511111930_a_140
1
cml_res_20010511111930_a_139
cml_res_20010511111930_a_158
1
cml_res_20010511111930_a_140
cml_res_20010511111930_a_141
2
cml_res_20010511111930_a_141
cml_res_20010511111930_a_159
1
cml_res_20010511111930_a_160
cml_res_20010511111930_a_165
1
cml_res_20010511111930_a_160
cml_res_20010511111930_a_190
1
cml_res_20010511111930_a_161
cml_res_20010511111930_a_167
1
cml_res_20010511111930_a_161
cml_res_20010511111930_a_191
1
cml_res_20010511111930_a_162
cml_res_20010511111930_a_186
1
cml_res_20010511111930_a_162
cml_res_20010511111930_a_192
1
cml_res_20010511111930_a_163
cml_res_20010511111930_a_188
1
cml_res_20010511111930_a_163
cml_res_20010511111930_a_193
1
cml_res_20010511111930_a_164
cml_res_20010511111930_a_165
2
cml_res_20010511111930_a_164
cml_res_20010511111930_a_169
1
cml_res_20010511111930_a_164
cml_res_20010511111930_a_194
1
cml_res_20010511111930_a_165
cml_res_20010511111930_a_166
1
cml_res_20010511111930_a_166
cml_res_20010511111930_a_167
2
cml_res_20010511111930_a_166
cml_res_20010511111930_a_195
1
cml_res_20010511111930_a_167
cml_res_20010511111930_a_168
1
cml_res_20010511111930_a_168
cml_res_20010511111930_a_169
2
cml_res_20010511111930_a_168
cml_res_20010511111930_a_196
1
cml_res_20010511111930_a_169
cml_res_20010511111930_a_170
1
cml_res_20010511111930_a_170
cml_res_20010511111930_a_171
2
cml_res_20010511111930_a_170
cml_res_20010511111930_a_183
1
6
cml_res_20010511111930_a_171
cml_res_20010511111930_a_172
1
1
cml_res_20010511111930_a_171
cml_res_20010511111930_a_176
1
cml_res_20010511111930_a_172
cml_res_20010511111930_a_173
2
cml_res_20010511111930_a_172
cml_res_20010511111930_a_197
1
cml_res_20010511111930_a_173
cml_res_20010511111930_a_174
1
cml_res_20010511111930_a_173
cml_res_20010511111930_a_198
1
1
cml_res_20010511111930_a_174
cml_res_20010511111930_a_175
2
cml_res_20010511111930_a_174
cml_res_20010511111930_a_199
1
1
cml_res_20010511111930_a_175
cml_res_20010511111930_a_176
1
6
cml_res_20010511111930_a_175
cml_res_20010511111930_a_200
1
cml_res_20010511111930_a_176
cml_res_20010511111930_a_177
2
cml_res_20010511111930_a_177
cml_res_20010511111930_a_178
1
6
cml_res_20010511111930_a_177
cml_res_20010511111930_a_184
1
cml_res_20010511111930_a_178
cml_res_20010511111930_a_179
2
cml_res_20010511111930_a_178
cml_res_20010511111930_a_183
1
cml_res_20010511111930_a_179
cml_res_20010511111930_a_180
1
6
cml_res_20010511111930_a_179
cml_res_20010511111930_a_201
1
cml_res_20010511111930_a_180
cml_res_20010511111930_a_181
2
cml_res_20010511111930_a_180
cml_res_20010511111930_a_202
1
6
cml_res_20010511111930_a_181
cml_res_20010511111930_a_182
1
1
cml_res_20010511111930_a_181
cml_res_20010511111930_a_203
1
6
cml_res_20010511111930_a_182
cml_res_20010511111930_a_183
2
cml_res_20010511111930_a_182
cml_res_20010511111930_a_204
1
cml_res_20010511111930_a_184
cml_res_20010511111930_a_185
2
cml_res_20010511111930_a_184
cml_res_20010511111930_a_189
1
cml_res_20010511111930_a_185
cml_res_20010511111930_a_186
1
cml_res_20010511111930_a_185
cml_res_20010511111930_a_205
1
cml_res_20010511111930_a_186
cml_res_20010511111930_a_187
2
cml_res_20010511111930_a_187
cml_res_20010511111930_a_188
1
cml_res_20010511111930_a_187
cml_res_20010511111930_a_206
1
cml_res_20010511111930_a_188
cml_res_20010511111930_a_189
2
cml_res_20010511111930_a_189
cml_res_20010511111930_a_207
1
cml_res_20010511111930_a_208
cml_res_20010511111930_a_211
2
cml_res_20010511111930_a_209
cml_res_20010511111930_a_210
1
6
cml_res_20010511111930_a_209
cml_res_20010511111930_a_211
1
1
cml_res_20010511111930_a_210
cml_res_20010511111930_a_214
1
6
cml_res_20010511111930_a_210
cml_res_20010511111930_a_215
1
cml_res_20010511111930_a_210
cml_res_20010511111930_a_216
1
cml_res_20010511111930_a_211
cml_res_20010511111930_a_212
1
1
cml_res_20010511111930_a_212
cml_res_20010511111930_a_213
2
cml_res_20010511111930_a_212
cml_res_20010511111930_a_217
1
cml_res_20010511111930_a_213
cml_res_20010511111930_a_218
1
1
cml_res_20010511111930_a_213
cml_res_20010511111930_a_219
1
cml_res_20010511111930_a_214
cml_res_20010511111930_a_220
1
cml_res_20010511111930_a_214
cml_res_20010511111930_a_221
1
6
cml_res_20010511111930_a_214
cml_res_20010511111930_a_222
1
cml_res_20010511111930_a_223
cml_res_20010511111930_a_224
2
cml_res_20010511111930_a_223
cml_res_20010511111930_a_228
1
6
cml_res_20010511111930_a_223
cml_res_20010511111930_a_229
1
cml_res_20010511111930_a_224
cml_res_20010511111930_a_225
1
cml_res_20010511111930_a_224
cml_res_20010511111930_a_230
1
1
cml_res_20010511111930_a_225
cml_res_20010511111930_a_226
2
cml_res_20010511111930_a_225
cml_res_20010511111930_a_231
1
1
cml_res_20010511111930_a_226
cml_res_20010511111930_a_227
1
6
cml_res_20010511111930_a_226
cml_res_20010511111930_a_232
1
cml_res_20010511111930_a_227
cml_res_20010511111930_a_228
1
cml_res_20010511111930_a_227
cml_res_20010511111930_a_233
1
6
cml_res_20010511111930_a_227
cml_res_20010511111930_a_234
1
6
cml_res_20010511111930_a_228
cml_res_20010511111930_a_235
1
6
cml_res_20010511111930_a_228
cml_res_20010511111930_a_236
1
6
[molFile 1] Sildenafil citrate [molFile 2] [molFile 3] 63 66 0 0 0 1 V2000
converted by JChemDig
2001-05-11
null
-4.9343
-1.8728
0.3721
C
-5.6426
-2.7318
-0.6885
C
-5.3188
-2.2766
-2.0316
N
-3.8765
-2.2967
-2.2211
C
-3.1722
-1.4332
-1.1621
C
-5.9989
-3.0732
-3.0409
C
-2.6047
-1.0544
1.4320
S
-3.0459
-1.5296
2.7325
O
-2.7462
0.3736
1.2100
O
-0.8416
-1.5089
1.2833
C
-0.4767
-2.8190
0.9782
C
0.8715
-3.1614
0.8754
C
1.9131
-2.2421
1.0805
C
1.5323
-0.9266
1.4362
C
0.1717
-0.5774
1.5074
C
3.2423
-2.5637
0.9627
O
3.6560
-3.9129
0.8537
C
3.4986
-4.6530
2.1797
C
2.5235
0.1311
1.7434
C
2.2058
1.3693
1.5634
N
3.1680
2.3366
1.8683
C
4.4210
2.0152
2.3622
C
4.7754
0.6071
2.5864
C
3.7377
-0.1996
2.2334
N
3.1548
3.7431
1.7561
C
4.3088
4.2528
2.1585
N
5.0756
3.1970
2.5271
N
5.8231
0.1644
3.0251
O
6.4497
3.1956
3.0384
C
2.0453
4.6124
1.2469
C
2.2634
5.0072
-0.2216
C
2.3003
3.7945
-1.1618
C
-5.3179
-0.8255
0.3205
H
-5.1951
-2.2780
1.3797
H
-6.7457
-2.6675
-0.5272
H
-5.3465
-3.8003
-0.5585
H
-3.6265
-1.9006
-3.2348
H
-3.4900
-3.3425
-2.1646
H
-2.0700
-1.4889
-1.3350
H
-3.4800
-0.3682
-1.2952
H
-5.6926
-4.1433
-2.9939
H
-7.1030
-3.0134
-2.9049
H
-5.7743
-2.6837
-4.0602
H
-1.2477
-3.5878
0.8055
H
1.0806
-4.2065
0.6026
H
-0.1229
0.4452
1.7917
H
4.7423
-3.8845
0.5977
H
3.1524
-4.4131
-0.0009
H
3.9032
-5.6884
2.1012
H
2.4370
-4.7379
2.5003
H
4.0543
-4.1341
2.9945
H
3.8553
-1.1874
2.3725
H
6.8154
4.2456
3.0903
H
7.1030
2.6172
2.3471
H
6.4649
2.7540
4.0602
H
1.9820
5.5268
1.8830
H
1.0758
4.0730
1.3558
H
3.2162
5.5811
-0.3186
H
1.4381
5.6884
-0.5419
H
2.4010
4.1167
-2.2238
H
1.3671
3.1920
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H
3.1625
3.1270
-0.9362
H
cml_viagra_20010511111930_a_ 1
cml_viagra_20010511111930_a_ 2
1
cml_viagra_20010511111930_a_ 1
cml_viagra_20010511111930_a_ 6
1
cml_viagra_20010511111930_a_ 1
cml_viagra_20010511111930_a_ 8
1
cml_viagra_20010511111930_a_ 2
cml_viagra_20010511111930_a_ 3
1
cml_viagra_20010511111930_a_ 2
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1
cml_viagra_20010511111930_a_ 2
cml_viagra_20010511111930_a_35
1
cml_viagra_20010511111930_a_ 3
cml_viagra_20010511111930_a_ 4
1
cml_viagra_20010511111930_a_ 3
cml_viagra_20010511111930_a_36
1
cml_viagra_20010511111930_a_ 3
cml_viagra_20010511111930_a_37
1
cml_viagra_20010511111930_a_ 4
cml_viagra_20010511111930_a_ 5
1
cml_viagra_20010511111930_a_ 4
cml_viagra_20010511111930_a_ 7
1
cml_viagra_20010511111930_a_ 5
cml_viagra_20010511111930_a_ 6
1
cml_viagra_20010511111930_a_ 5
cml_viagra_20010511111930_a_38
1
cml_viagra_20010511111930_a_ 5
cml_viagra_20010511111930_a_39
1
cml_viagra_20010511111930_a_ 6
cml_viagra_20010511111930_a_40
1
cml_viagra_20010511111930_a_ 6
cml_viagra_20010511111930_a_41
1
cml_viagra_20010511111930_a_ 7
cml_viagra_20010511111930_a_42
1
cml_viagra_20010511111930_a_ 7
cml_viagra_20010511111930_a_43
1
cml_viagra_20010511111930_a_ 7
cml_viagra_20010511111930_a_44
1
cml_viagra_20010511111930_a_ 8
cml_viagra_20010511111930_a_ 9
2
cml_viagra_20010511111930_a_ 8
cml_viagra_20010511111930_a_10
2
cml_viagra_20010511111930_a_ 8
cml_viagra_20010511111930_a_11
1
cml_viagra_20010511111930_a_11
cml_viagra_20010511111930_a_12
2
cml_viagra_20010511111930_a_11
cml_viagra_20010511111930_a_16
1
cml_viagra_20010511111930_a_12
cml_viagra_20010511111930_a_13
1
cml_viagra_20010511111930_a_12
cml_viagra_20010511111930_a_45
1
cml_viagra_20010511111930_a_13
cml_viagra_20010511111930_a_14
2
cml_viagra_20010511111930_a_13
cml_viagra_20010511111930_a_46
1
cml_viagra_20010511111930_a_14
cml_viagra_20010511111930_a_15
1
cml_viagra_20010511111930_a_14
cml_viagra_20010511111930_a_17
1
cml_viagra_20010511111930_a_15
cml_viagra_20010511111930_a_16
2
cml_viagra_20010511111930_a_15
cml_viagra_20010511111930_a_20
1
cml_viagra_20010511111930_a_16
cml_viagra_20010511111930_a_47
1
cml_viagra_20010511111930_a_17
cml_viagra_20010511111930_a_18
1
cml_viagra_20010511111930_a_18
cml_viagra_20010511111930_a_19
1
cml_viagra_20010511111930_a_18
cml_viagra_20010511111930_a_48
1
cml_viagra_20010511111930_a_18
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1
cml_viagra_20010511111930_a_19
cml_viagra_20010511111930_a_50
1
cml_viagra_20010511111930_a_19
cml_viagra_20010511111930_a_51
1
cml_viagra_20010511111930_a_19
cml_viagra_20010511111930_a_52
1
cml_viagra_20010511111930_a_20
cml_viagra_20010511111930_a_21
2
cml_viagra_20010511111930_a_20
cml_viagra_20010511111930_a_25
1
cml_viagra_20010511111930_a_21
cml_viagra_20010511111930_a_22
1
cml_viagra_20010511111930_a_22
cml_viagra_20010511111930_a_23
2
cml_viagra_20010511111930_a_22
cml_viagra_20010511111930_a_26
1
cml_viagra_20010511111930_a_23
cml_viagra_20010511111930_a_24
1
cml_viagra_20010511111930_a_23
cml_viagra_20010511111930_a_28
1
cml_viagra_20010511111930_a_24
cml_viagra_20010511111930_a_25
1
cml_viagra_20010511111930_a_24
cml_viagra_20010511111930_a_29
2
cml_viagra_20010511111930_a_25
cml_viagra_20010511111930_a_53
1
cml_viagra_20010511111930_a_26
cml_viagra_20010511111930_a_27
2
cml_viagra_20010511111930_a_26
cml_viagra_20010511111930_a_31
1
cml_viagra_20010511111930_a_27
cml_viagra_20010511111930_a_28
1
cml_viagra_20010511111930_a_28
cml_viagra_20010511111930_a_30
1
cml_viagra_20010511111930_a_30
cml_viagra_20010511111930_a_54
1
cml_viagra_20010511111930_a_30
cml_viagra_20010511111930_a_55
1
cml_viagra_20010511111930_a_30
cml_viagra_20010511111930_a_56
1
cml_viagra_20010511111930_a_31
cml_viagra_20010511111930_a_32
1
cml_viagra_20010511111930_a_31
cml_viagra_20010511111930_a_57
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cml_viagra_20010511111930_a_31
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1
cml_viagra_20010511111930_a_32
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1
cml_viagra_20010511111930_a_32
cml_viagra_20010511111930_a_59
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cml_viagra_20010511111930_a_32
cml_viagra_20010511111930_a_60
1
cml_viagra_20010511111930_a_33
cml_viagra_20010511111930_a_61
1
cml_viagra_20010511111930_a_33
cml_viagra_20010511111930_a_62
1
cml_viagra_20010511111930_a_33
cml_viagra_20010511111930_a_63
1
[molFile 1] trans cyclo-octene, right handed enantiomer [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
C1CCCCCCC1
0.0189
0.6989
-1.4590
C
0.0076
-0.6419
-1.4848
C
1.2539
1.4071
-0.9864
C
-1.2356
-1.3674
-1.0624
C
1.1079
1.5089
0.5479
C
0.7344
0.1933
1.2782
C
-0.7572
-0.2423
1.2563
C
-1.1169
-1.5287
0.4692
C
-0.9282
1.2583
-1.3855
H
0.9534
-1.2040
-1.4151
H
2.1740
0.8318
-1.2452
H
1.3366
2.4122
-1.4632
H
-2.1511
-0.7821
-1.3150
H
-1.3094
-2.3532
-1.5792
H
2.0783
1.8908
0.9483
H
0.3458
2.2836
0.8024
H
1.0110
0.3525
2.3490
H
1.4000
-0.6354
0.9437
H
-1.4169
0.5989
0.9417
H
-1.0534
-0.4424
2.3150
H
-2.0941
-1.9257
0.8372
H
-0.3591
-2.3129
0.7070
H
cml_right_20010511111931_a_ 1
cml_right_20010511111931_a_ 2
1
cml_right_20010511111931_a_ 1
cml_right_20010511111931_a_ 3
1
cml_right_20010511111931_a_ 1
cml_right_20010511111931_a_ 9
1
cml_right_20010511111931_a_ 2
cml_right_20010511111931_a_ 4
1
cml_right_20010511111931_a_ 2
cml_right_20010511111931_a_10
1
cml_right_20010511111931_a_ 3
cml_right_20010511111931_a_ 5
1
cml_right_20010511111931_a_ 3
cml_right_20010511111931_a_11
1
cml_right_20010511111931_a_ 3
cml_right_20010511111931_a_12
1
cml_right_20010511111931_a_ 4
cml_right_20010511111931_a_ 8
1
cml_right_20010511111931_a_ 4
cml_right_20010511111931_a_13
1
cml_right_20010511111931_a_ 4
cml_right_20010511111931_a_14
1
cml_right_20010511111931_a_ 5
cml_right_20010511111931_a_ 6
1
cml_right_20010511111931_a_ 5
cml_right_20010511111931_a_15
1
cml_right_20010511111931_a_ 5
cml_right_20010511111931_a_16
1
cml_right_20010511111931_a_ 6
cml_right_20010511111931_a_ 7
1
cml_right_20010511111931_a_ 6
cml_right_20010511111931_a_17
1
cml_right_20010511111931_a_ 6
cml_right_20010511111931_a_18
1
cml_right_20010511111931_a_ 7
cml_right_20010511111931_a_ 8
1
cml_right_20010511111931_a_ 7
cml_right_20010511111931_a_19
1
cml_right_20010511111931_a_ 7
cml_right_20010511111931_a_20
1
cml_right_20010511111931_a_ 8
cml_right_20010511111931_a_21
1
cml_right_20010511111931_a_ 8
cml_right_20010511111931_a_22
1
[molFile 1] trans cyclo-octene, left handed enantiomer [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
C1CCCCCCC1
-0.5272
1.2296
-1.6980
C
-0.5158
-0.1112
-1.7238
C
-1.7622
1.9378
-1.2254
C
0.7273
-0.8367
-1.3013
C
-1.6161
2.0396
0.3090
C
-1.2427
0.7240
1.0392
C
0.2490
0.2884
1.0173
C
0.6087
-0.9980
0.2303
C
0.4200
1.7890
-1.6245
H
-1.4616
-0.6733
-1.6541
H
-2.6823
1.3625
-1.4842
H
-1.8448
2.9430
-1.7021
H
1.6428
-0.2514
-1.5540
H
0.8011
-1.8225
-1.8181
H
-2.5866
2.4216
0.7094
H
-0.8540
2.8143
0.5634
H
-1.5193
0.8832
2.1100
H
-1.9083
-0.1047
0.7047
H
0.9086
1.1296
0.7027
H
0.5451
0.0883
2.0760
H
1.5859
-1.3950
0.5982
H
-0.1492
-1.7821
0.4681
H
cml_left_20010511111931_a_ 1
cml_left_20010511111931_a_ 2
1
cml_left_20010511111931_a_ 1
cml_left_20010511111931_a_ 3
1
cml_left_20010511111931_a_ 1
cml_left_20010511111931_a_ 9
1
cml_left_20010511111931_a_ 2
cml_left_20010511111931_a_ 4
1
cml_left_20010511111931_a_ 2
cml_left_20010511111931_a_10
1
cml_left_20010511111931_a_ 3
cml_left_20010511111931_a_ 5
1
cml_left_20010511111931_a_ 3
cml_left_20010511111931_a_11
1
cml_left_20010511111931_a_ 3
cml_left_20010511111931_a_12
1
cml_left_20010511111931_a_ 4
cml_left_20010511111931_a_ 8
1
cml_left_20010511111931_a_ 4
cml_left_20010511111931_a_13
1
cml_left_20010511111931_a_ 4
cml_left_20010511111931_a_14
1
cml_left_20010511111931_a_ 5
cml_left_20010511111931_a_ 6
1
cml_left_20010511111931_a_ 5
cml_left_20010511111931_a_15
1
cml_left_20010511111931_a_ 5
cml_left_20010511111931_a_16
1
cml_left_20010511111931_a_ 6
cml_left_20010511111931_a_ 7
1
cml_left_20010511111931_a_ 6
cml_left_20010511111931_a_17
1
cml_left_20010511111931_a_ 6
cml_left_20010511111931_a_18
1
cml_left_20010511111931_a_ 7
cml_left_20010511111931_a_ 8
1
cml_left_20010511111931_a_ 7
cml_left_20010511111931_a_19
1
cml_left_20010511111931_a_ 7
cml_left_20010511111931_a_20
1
cml_left_20010511111931_a_ 8
cml_left_20010511111931_a_21
1
cml_left_20010511111931_a_ 8
cml_left_20010511111931_a_22
1
[molFile 1] viagra1.mol [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
CCCc1nn(C)c2c(=O)nc([nH]c12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4
-4.7933
-0.5364
-0.2894
N
-6.1244
-0.0592
0.0498
C
-7.1866
-1.1200
-0.2838
C
-7.1380
-1.4876
-1.6904
N
-5.8027
-1.9549
-2.0298
C
-4.7488
-0.8849
-1.7013
C
-8.1479
-2.4834
-2.0138
C
-3.5072
0.5426
0.2068
S
-3.7387
0.9605
1.5792
O
-3.4193
1.6172
-0.7662
O
-1.9252
-0.3712
0.2003
C
-1.8964
-1.7596
0.2821
C
-0.6716
-2.4317
0.2756
C
0.5637
-1.7783
0.1737
C
0.5282
-0.3602
0.1403
C
-0.7070
0.3109
0.1463
C
1.7676
-2.4375
0.2239
O
1.8439
-3.7442
0.7646
C
1.5898
-3.7353
2.2697
C
1.7656
0.4561
0.0900
C
2.9572
-0.1465
-0.2370
N
4.1458
0.5759
-0.2840
C
4.1137
1.9304
0.0017
C
2.8165
2.5619
0.3409
C
1.6987
1.7538
0.3589
N
5.4879
0.2524
-0.5571
C
6.2376
1.3380
-0.4487
N
5.3960
2.3524
-0.1087
N
2.7579
3.7672
0.5980
O
5.7260
3.7590
0.1427
C
6.0589
-1.0860
-0.9111
C
6.6593
-1.7943
0.3125
C
5.6187
-2.0760
1.4049
C
-6.3515
0.8849
-0.5014
H
-6.1891
0.1646
1.1420
H
-8.1959
-0.7098
-0.0389
H
-7.0253
-2.0192
0.3580
H
-5.7536
-2.1885
-3.1207
H
-5.5646
-2.8935
-1.4743
H
-3.7414
-1.2841
-1.9710
H
-4.9319
0.0159
-2.3350
H
-7.9930
-3.4260
-1.4408
H
-9.1663
-2.0928
-1.7866
H
-8.1252
-2.7214
-3.1020
H
-2.8300
-2.3396
0.3608
H
-0.7291
-3.5284
0.3504
H
-0.7462
1.4100
0.0957
H
2.8861
-4.0986
0.5843
H
1.1879
-4.4455
0.2065
H
1.7314
-4.7542
2.6982
H
0.5564
-3.4114
2.5238
H
2.2974
-3.0487
2.7890
H
2.9783
-1.1703
-0.4532
H
6.8211
3.9018
0.0030
H
5.4584
4.0222
1.1908
H
5.1814
4.4050
-0.5819
H
6.8407
-0.9483
-1.6951
H
5.2564
-1.7176
-1.3587
H
7.4857
-1.1753
0.7369
H
7.1108
-2.7624
-0.0143
H
6.0702
-2.6461
2.2491
H
4.7726
-2.6783
1.0043
H
5.1992
-1.1348
1.8265
H
cml_viagra1_20010511111931_a_ 1
cml_viagra1_20010511111931_a_ 2
1
cml_viagra1_20010511111931_a_ 1
cml_viagra1_20010511111931_a_ 6
1
cml_viagra1_20010511111931_a_ 1
cml_viagra1_20010511111931_a_ 8
1
cml_viagra1_20010511111931_a_ 2
cml_viagra1_20010511111931_a_ 3
1
cml_viagra1_20010511111931_a_ 2
cml_viagra1_20010511111931_a_34
1
cml_viagra1_20010511111931_a_ 2
cml_viagra1_20010511111931_a_35
1
cml_viagra1_20010511111931_a_ 3
cml_viagra1_20010511111931_a_ 4
1
cml_viagra1_20010511111931_a_ 3
cml_viagra1_20010511111931_a_36
1
cml_viagra1_20010511111931_a_ 3
cml_viagra1_20010511111931_a_37
1
cml_viagra1_20010511111931_a_ 4
cml_viagra1_20010511111931_a_ 5
1
cml_viagra1_20010511111931_a_ 4
cml_viagra1_20010511111931_a_ 7
1
cml_viagra1_20010511111931_a_ 5
cml_viagra1_20010511111931_a_ 6
1
cml_viagra1_20010511111931_a_ 5
cml_viagra1_20010511111931_a_38
1
cml_viagra1_20010511111931_a_ 5
cml_viagra1_20010511111931_a_39
1
cml_viagra1_20010511111931_a_ 6
cml_viagra1_20010511111931_a_40
1
cml_viagra1_20010511111931_a_ 6
cml_viagra1_20010511111931_a_41
1
cml_viagra1_20010511111931_a_ 7
cml_viagra1_20010511111931_a_42
1
cml_viagra1_20010511111931_a_ 7
cml_viagra1_20010511111931_a_43
1
cml_viagra1_20010511111931_a_ 7
cml_viagra1_20010511111931_a_44
1
cml_viagra1_20010511111931_a_ 8
cml_viagra1_20010511111931_a_ 9
2
cml_viagra1_20010511111931_a_ 8
cml_viagra1_20010511111931_a_10
2
cml_viagra1_20010511111931_a_ 8
cml_viagra1_20010511111931_a_11
1
cml_viagra1_20010511111931_a_11
cml_viagra1_20010511111931_a_12
2
cml_viagra1_20010511111931_a_11
cml_viagra1_20010511111931_a_16
1
cml_viagra1_20010511111931_a_12
cml_viagra1_20010511111931_a_13
1
cml_viagra1_20010511111931_a_12
cml_viagra1_20010511111931_a_45
1
cml_viagra1_20010511111931_a_13
cml_viagra1_20010511111931_a_14
2
cml_viagra1_20010511111931_a_13
cml_viagra1_20010511111931_a_46
1
cml_viagra1_20010511111931_a_14
cml_viagra1_20010511111931_a_15
1
cml_viagra1_20010511111931_a_14
cml_viagra1_20010511111931_a_17
1
cml_viagra1_20010511111931_a_15
cml_viagra1_20010511111931_a_16
2
cml_viagra1_20010511111931_a_15
cml_viagra1_20010511111931_a_20
1
cml_viagra1_20010511111931_a_16
cml_viagra1_20010511111931_a_47
1
cml_viagra1_20010511111931_a_17
cml_viagra1_20010511111931_a_18
1
cml_viagra1_20010511111931_a_18
cml_viagra1_20010511111931_a_19
1
cml_viagra1_20010511111931_a_18
cml_viagra1_20010511111931_a_48
1
cml_viagra1_20010511111931_a_18
cml_viagra1_20010511111931_a_49
1
cml_viagra1_20010511111931_a_19
cml_viagra1_20010511111931_a_50
1
cml_viagra1_20010511111931_a_19
cml_viagra1_20010511111931_a_51
1
cml_viagra1_20010511111931_a_19
cml_viagra1_20010511111931_a_52
1
cml_viagra1_20010511111931_a_20
cml_viagra1_20010511111931_a_21
1
cml_viagra1_20010511111931_a_20
cml_viagra1_20010511111931_a_25
2
cml_viagra1_20010511111931_a_21
cml_viagra1_20010511111931_a_22
1
cml_viagra1_20010511111931_a_21
cml_viagra1_20010511111931_a_53
1
cml_viagra1_20010511111931_a_22
cml_viagra1_20010511111931_a_23
2
cml_viagra1_20010511111931_a_22
cml_viagra1_20010511111931_a_26
1
cml_viagra1_20010511111931_a_23
cml_viagra1_20010511111931_a_24
1
cml_viagra1_20010511111931_a_23
cml_viagra1_20010511111931_a_28
1
cml_viagra1_20010511111931_a_24
cml_viagra1_20010511111931_a_25
1
cml_viagra1_20010511111931_a_24
cml_viagra1_20010511111931_a_29
2
cml_viagra1_20010511111931_a_26
cml_viagra1_20010511111931_a_27
2
cml_viagra1_20010511111931_a_26
cml_viagra1_20010511111931_a_31
1
cml_viagra1_20010511111931_a_27
cml_viagra1_20010511111931_a_28
1
cml_viagra1_20010511111931_a_28
cml_viagra1_20010511111931_a_30
1
cml_viagra1_20010511111931_a_30
cml_viagra1_20010511111931_a_54
1
cml_viagra1_20010511111931_a_30
cml_viagra1_20010511111931_a_55
1
cml_viagra1_20010511111931_a_30
cml_viagra1_20010511111931_a_56
1
cml_viagra1_20010511111931_a_31
cml_viagra1_20010511111931_a_32
1
cml_viagra1_20010511111931_a_31
cml_viagra1_20010511111931_a_57
1
cml_viagra1_20010511111931_a_31
cml_viagra1_20010511111931_a_58
1
cml_viagra1_20010511111931_a_32
cml_viagra1_20010511111931_a_33
1
cml_viagra1_20010511111931_a_32
cml_viagra1_20010511111931_a_59
1
cml_viagra1_20010511111931_a_32
cml_viagra1_20010511111931_a_60
1
cml_viagra1_20010511111931_a_33
cml_viagra1_20010511111931_a_61
1
cml_viagra1_20010511111931_a_33
cml_viagra1_20010511111931_a_62
1
cml_viagra1_20010511111931_a_33
cml_viagra1_20010511111931_a_63
1
[molFile 1] 3D Structure of 2',3' Guanosine cyclic Monophosphate [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
Nc1nc2n(cnc2c(=O)[nH]1)C3OC(CO)C4OP(=O)([O-])OC34
5.9030
-2.0446
4.4956
C
4.9165
-1.6402
5.5929
C
5.7123
-0.5605
6.3229
C
6.7393
-0.0631
5.3001
C
6.5642
-0.8512
4.1406
O
5.0739
0.2519
6.7476
H
6.6982
-2.7216
4.8909
H
3.9380
-1.2720
5.2020
H
4.7027
-2.7052
6.4860
O
5.2484
-2.6676
3.2618
C
6.5335
1.3117
4.9021
N
5.4512
1.8077
4.2146
C
5.5213
3.1202
3.9488
N
6.7044
3.4408
4.4984
C
7.3784
2.3749
5.1042
C
7.4593
4.6937
4.5945
C
8.6714
4.7127
5.2295
N
9.1384
3.5655
5.7498
C
8.5033
2.4726
5.6730
N
7.0546
5.7294
4.1289
O
10.2517
3.5981
6.3303
N
9.2384
5.5490
5.3270
H
10.7187
4.5055
6.3609
H
4.6273
1.1700
3.9193
H
7.7849
-0.2304
5.6500
H
10.5802
2.7107
6.7154
H
6.3263
-1.2215
7.4040
O
4.8467
-3.9826
3.5482
O
5.4948
-2.5042
7.8502
P
4.1128
-3.9638
4.1398
H
6.4383
-3.7262
8.1303
O
5
4.5132
-2.1775
9.0306
O
4.3472
-2.1036
2.9289
H
5.9705
-2.7401
2.4160
H
cml_cGMP_20010511111931_a_ 1
cml_cGMP_20010511111931_a_ 2
1
cml_cGMP_20010511111931_a_ 2
cml_cGMP_20010511111931_a_ 3
1
cml_cGMP_20010511111931_a_ 3
cml_cGMP_20010511111931_a_ 4
1
cml_cGMP_20010511111931_a_ 1
cml_cGMP_20010511111931_a_ 5
1
cml_cGMP_20010511111931_a_ 5
cml_cGMP_20010511111931_a_ 4
1
cml_cGMP_20010511111931_a_ 3
cml_cGMP_20010511111931_a_ 6
1
cml_cGMP_20010511111931_a_ 1
cml_cGMP_20010511111931_a_ 7
1
cml_cGMP_20010511111931_a_ 2
cml_cGMP_20010511111931_a_ 8
1
cml_cGMP_20010511111931_a_ 2
cml_cGMP_20010511111931_a_ 9
1
cml_cGMP_20010511111931_a_29
cml_cGMP_20010511111931_a_ 9
1
cml_cGMP_20010511111931_a_ 1
cml_cGMP_20010511111931_a_10
1
cml_cGMP_20010511111931_a_27
cml_cGMP_20010511111931_a_29
1
cml_cGMP_20010511111931_a_ 4
cml_cGMP_20010511111931_a_11
1
cml_cGMP_20010511111931_a_11
cml_cGMP_20010511111931_a_12
1
cml_cGMP_20010511111931_a_12
cml_cGMP_20010511111931_a_13
2
cml_cGMP_20010511111931_a_13
cml_cGMP_20010511111931_a_14
1
cml_cGMP_20010511111931_a_14
cml_cGMP_20010511111931_a_15
2
cml_cGMP_20010511111931_a_15
cml_cGMP_20010511111931_a_11
1
cml_cGMP_20010511111931_a_14
cml_cGMP_20010511111931_a_16
1
cml_cGMP_20010511111931_a_16
cml_cGMP_20010511111931_a_17
1
cml_cGMP_20010511111931_a_17
cml_cGMP_20010511111931_a_18
1
cml_cGMP_20010511111931_a_15
cml_cGMP_20010511111931_a_19
1
cml_cGMP_20010511111931_a_19
cml_cGMP_20010511111931_a_18
2
cml_cGMP_20010511111931_a_16
cml_cGMP_20010511111931_a_20
2
cml_cGMP_20010511111931_a_18
cml_cGMP_20010511111931_a_21
1
cml_cGMP_20010511111931_a_17
cml_cGMP_20010511111931_a_22
1
cml_cGMP_20010511111931_a_21
cml_cGMP_20010511111931_a_23
1
cml_cGMP_20010511111931_a_12
cml_cGMP_20010511111931_a_24
1
cml_cGMP_20010511111931_a_ 4
cml_cGMP_20010511111931_a_25
1
cml_cGMP_20010511111931_a_21
cml_cGMP_20010511111931_a_26
1
cml_cGMP_20010511111931_a_ 3
cml_cGMP_20010511111931_a_27
1
cml_cGMP_20010511111931_a_10
cml_cGMP_20010511111931_a_28
1
cml_cGMP_20010511111931_a_30
cml_cGMP_20010511111931_a_28
1
cml_cGMP_20010511111931_a_29
cml_cGMP_20010511111931_a_31
1
cml_cGMP_20010511111931_a_29
cml_cGMP_20010511111931_a_32
2
cml_cGMP_20010511111931_a_10
cml_cGMP_20010511111931_a_33
1
cml_cGMP_20010511111931_a_10
cml_cGMP_20010511111931_a_34
1
[molFile 1] Buckminster fullerene, C70 [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
C1(C2C3C4C15)C6C7C8C2C9C%10C3C%11C%12C4C%13C%14C5C%15C6C%16C7C%17C%18C%19C%20C%21C%22C%23C%24C%21C%25C%26C%20C%18C%16C%27C%15C%14C%28C(C%25C%29C%24C%30C%31C%23C%32C%33C%22C%19C%34C%33C(C9C8C%34%17)C%35C%10C%11C(C%31C%32%35)C%36C%12C%13C%28C%29C%30%36)C%26%27
8.7930
-0.8280
-0.1530
C
9.4050
0.0410
-1.0620
C
8.4000
0.7660
-1.7110
C
7.1670
0.3450
-1.2030
C
7.4090
-0.6400
-0.2400
C
10.6080
0.6680
-0.7240
C
10.8060
2.0160
-1.0360
C
9.8080
2.7360
-1.6800
C
8.6030
2.1150
-2.0190
C
7.5740
3.0400
-1.8210
C
6.3490
2.6220
-1.3170
C
6.1410
1.2760
-1.0050
C
5.3590
1.2190
0.1520
C
5.6000
0.2410
1.1080
C
6.6250
-0.6900
0.9170
C
7.2230
-0.9300
2.1570
C
8.5970
-1.1170
2.2430
C
9.3860
-1.0660
1.0910
C
10.5900
-0.4380
1.4230
C
11.1980
0.4250
0.5200
C
9.3120
-0.5280
3.2870
C
10.5490
-0.1060
2.7770
C
11.5200
2.6050
0.0090
C
11.7630
1.6170
0.9750
C
6.5680
-0.1550
3.1140
C
5.5600
0.5720
2.4630
C
5.0800
2.5260
0.5530
C
5.6940
3.3970
-0.3590
C
8.1400
4.2310
-1.3660
C
9.5270
4.0420
-1.2780
C
10.2740
4.6760
-0.2710
C
11.2960
3.9390
0.3890
C
11.7880
1.9420
2.3410
C
11.1650
1.0580
3.2660
C
8.6640
0.2050
4.2960
C
7.2570
0.3970
4.2070
C
4.9730
2.8690
1.9110
C
5.2200
1.8670
2.8910
C
7.4700
5.0580
-0.4480
C
6.2150
4.6300
0.0680
C
9.6490
5.7300
0.4170
C
8.2620
5.9190
0.3300
C
11.8850
3.3050
2.6700
C
11.6420
4.2920
1.7040
C
10.6700
1.5820
4.4730
C
9.4340
1.1600
4.9820
C
5.8160
5.0850
1.3370
C
5.2020
4.2140
2.2480
C
5.6830
2.2600
4.1580
C
6.6900
1.5330
4.8090
C
7.4670
2.4350
5.5370
C
8.8410
2.2480
5.6230
C
10.8330
2.9280
4.8030
C
11.4410
3.7900
3.9000
C
11.0500
5.3810
2.3450
C
10.0520
6.1010
1.7000
C
7.8180
6.4050
1.5590
C
6.5920
5.9880
2.0630
C
5.8440
3.6060
4.4880
C
5.6030
4.5840
3.5320
C
8.9220
6.5220
2.4070
C
6.4600
5.6830
3.4210
C
6.9440
3.7170
5.3430
C
9.7050
3.3410
5.5170
C
10.9270
5.0750
3.7030
C
9.1870
4.6260
5.3250
C
9.8000
5.4950
4.4160
C
8.7950
6.2200
3.7670
C
7.8040
4.8140
5.2380
C
7.5620
5.8000
4.2750
C
cml_c70a_20010511111931_a_ 1
cml_c70a_20010511111931_a_ 2
1
cml_c70a_20010511111931_a_ 1
cml_c70a_20010511111931_a_ 5
1
cml_c70a_20010511111931_a_ 1
cml_c70a_20010511111931_a_18
1
cml_c70a_20010511111931_a_ 2
cml_c70a_20010511111931_a_ 3
1
cml_c70a_20010511111931_a_ 2
cml_c70a_20010511111931_a_ 6
1
cml_c70a_20010511111931_a_ 3
cml_c70a_20010511111931_a_ 4
1
cml_c70a_20010511111931_a_ 3
cml_c70a_20010511111931_a_ 9
1
cml_c70a_20010511111931_a_ 4
cml_c70a_20010511111931_a_ 5
1
cml_c70a_20010511111931_a_ 4
cml_c70a_20010511111931_a_12
1
cml_c70a_20010511111931_a_ 5
cml_c70a_20010511111931_a_15
1
cml_c70a_20010511111931_a_ 6
cml_c70a_20010511111931_a_ 7
1
cml_c70a_20010511111931_a_ 6
cml_c70a_20010511111931_a_20
1
cml_c70a_20010511111931_a_ 7
cml_c70a_20010511111931_a_ 8
1
cml_c70a_20010511111931_a_ 7
cml_c70a_20010511111931_a_23
1
cml_c70a_20010511111931_a_ 8
cml_c70a_20010511111931_a_ 9
1
cml_c70a_20010511111931_a_ 8
cml_c70a_20010511111931_a_30
1
cml_c70a_20010511111931_a_ 9
cml_c70a_20010511111931_a_10
1
cml_c70a_20010511111931_a_10
cml_c70a_20010511111931_a_11
1
cml_c70a_20010511111931_a_10
cml_c70a_20010511111931_a_29
1
cml_c70a_20010511111931_a_11
cml_c70a_20010511111931_a_12
1
cml_c70a_20010511111931_a_11
cml_c70a_20010511111931_a_28
1
cml_c70a_20010511111931_a_12
cml_c70a_20010511111931_a_13
1
cml_c70a_20010511111931_a_13
cml_c70a_20010511111931_a_14
1
cml_c70a_20010511111931_a_13
cml_c70a_20010511111931_a_27
1
cml_c70a_20010511111931_a_14
cml_c70a_20010511111931_a_15
1
cml_c70a_20010511111931_a_14
cml_c70a_20010511111931_a_26
1
cml_c70a_20010511111931_a_15
cml_c70a_20010511111931_a_16
1
cml_c70a_20010511111931_a_16
cml_c70a_20010511111931_a_17
1
cml_c70a_20010511111931_a_16
cml_c70a_20010511111931_a_25
1
cml_c70a_20010511111931_a_17
cml_c70a_20010511111931_a_18
1
cml_c70a_20010511111931_a_17
cml_c70a_20010511111931_a_21
1
cml_c70a_20010511111931_a_18
cml_c70a_20010511111931_a_19
1
cml_c70a_20010511111931_a_19
cml_c70a_20010511111931_a_20
1
cml_c70a_20010511111931_a_19
cml_c70a_20010511111931_a_22
1
cml_c70a_20010511111931_a_20
cml_c70a_20010511111931_a_24
1
cml_c70a_20010511111931_a_21
cml_c70a_20010511111931_a_22
1
cml_c70a_20010511111931_a_21
cml_c70a_20010511111931_a_35
1
cml_c70a_20010511111931_a_22
cml_c70a_20010511111931_a_34
1
cml_c70a_20010511111931_a_23
cml_c70a_20010511111931_a_24
1
cml_c70a_20010511111931_a_23
cml_c70a_20010511111931_a_32
1
cml_c70a_20010511111931_a_24
cml_c70a_20010511111931_a_33
1
cml_c70a_20010511111931_a_25
cml_c70a_20010511111931_a_26
1
cml_c70a_20010511111931_a_25
cml_c70a_20010511111931_a_36
1
cml_c70a_20010511111931_a_26
cml_c70a_20010511111931_a_38
1
cml_c70a_20010511111931_a_27
cml_c70a_20010511111931_a_28
1
cml_c70a_20010511111931_a_27
cml_c70a_20010511111931_a_37
1
cml_c70a_20010511111931_a_28
cml_c70a_20010511111931_a_40
1
cml_c70a_20010511111931_a_29
cml_c70a_20010511111931_a_30
1
cml_c70a_20010511111931_a_29
cml_c70a_20010511111931_a_39
1
cml_c70a_20010511111931_a_30
cml_c70a_20010511111931_a_31
1
cml_c70a_20010511111931_a_31
cml_c70a_20010511111931_a_32
1
cml_c70a_20010511111931_a_31
cml_c70a_20010511111931_a_41
1
cml_c70a_20010511111931_a_32
cml_c70a_20010511111931_a_44
1
cml_c70a_20010511111931_a_33
cml_c70a_20010511111931_a_34
1
cml_c70a_20010511111931_a_33
cml_c70a_20010511111931_a_43
1
cml_c70a_20010511111931_a_34
cml_c70a_20010511111931_a_45
1
cml_c70a_20010511111931_a_35
cml_c70a_20010511111931_a_36
1
cml_c70a_20010511111931_a_35
cml_c70a_20010511111931_a_46
1
cml_c70a_20010511111931_a_36
cml_c70a_20010511111931_a_50
1
cml_c70a_20010511111931_a_37
cml_c70a_20010511111931_a_38
1
cml_c70a_20010511111931_a_37
cml_c70a_20010511111931_a_48
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[molFile 1] Helicoidal Graphite, otherwise known as helical bucky tubes [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
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cml_spirala_20010511111931_a_742
1
1
cml_spirala_20010511111931_a_741
cml_spirala_20010511111931_a_745
1
cml_spirala_20010511111931_a_743
cml_spirala_20010511111931_a_744
1
cml_spirala_20010511111931_a_743
cml_spirala_20010511111931_a_746
1
1
cml_spirala_20010511111931_a_747
cml_spirala_20010511111931_a_748
1
cml_spirala_20010511111931_a_749
cml_spirala_20010511111931_a_750
1
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cml_spirala_20010511111931_a_752
cml_spirala_20010511111931_a_754
1
1
cml_spirala_20010511111931_a_754
cml_spirala_20010511111931_a_755
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cml_spirala_20010511111931_a_755
cml_spirala_20010511111931_a_756
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1
cml_spirala_20010511111931_a_756
cml_spirala_20010511111931_a_757
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1
cml_spirala_20010511111931_a_759
cml_spirala_20010511111931_a_760
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cml_spirala_20010511111931_a_759
cml_spirala_20010511111931_a_765
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cml_spirala_20010511111931_a_760
cml_spirala_20010511111931_a_761
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cml_spirala_20010511111931_a_760
cml_spirala_20010511111931_a_772
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cml_spirala_20010511111931_a_761
cml_spirala_20010511111931_a_762
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cml_spirala_20010511111931_a_762
cml_spirala_20010511111931_a_763
1
cml_spirala_20010511111931_a_762
cml_spirala_20010511111931_a_773
1
6
cml_spirala_20010511111931_a_763
cml_spirala_20010511111931_a_778
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cml_spirala_20010511111931_a_764
cml_spirala_20010511111931_a_765
1
6
cml_spirala_20010511111931_a_764
cml_spirala_20010511111931_a_771
1
cml_spirala_20010511111931_a_765
cml_spirala_20010511111931_a_774
1
6
cml_spirala_20010511111931_a_766
cml_spirala_20010511111931_a_767
1
1
cml_spirala_20010511111931_a_766
cml_spirala_20010511111931_a_779
1
6
cml_spirala_20010511111931_a_767
cml_spirala_20010511111931_a_769
1
cml_spirala_20010511111931_a_768
cml_spirala_20010511111931_a_769
1
6
cml_spirala_20010511111931_a_768
cml_spirala_20010511111931_a_780
1
cml_spirala_20010511111931_a_769
cml_spirala_20010511111931_a_791
1
6
cml_spirala_20010511111931_a_770
cml_spirala_20010511111931_a_771
1
6
cml_spirala_20010511111931_a_770
cml_spirala_20010511111931_a_820
1
cml_spirala_20010511111931_a_771
cml_spirala_20010511111931_a_781
1
6
cml_spirala_20010511111931_a_772
cml_spirala_20010511111931_a_773
1
6
cml_spirala_20010511111931_a_772
cml_spirala_20010511111931_a_775
1
cml_spirala_20010511111931_a_773
cml_spirala_20010511111931_a_776
1
6
cml_spirala_20010511111931_a_774
cml_spirala_20010511111931_a_775
1
6
cml_spirala_20010511111931_a_774
cml_spirala_20010511111931_a_782
1
cml_spirala_20010511111931_a_775
cml_spirala_20010511111931_a_784
1
6
cml_spirala_20010511111931_a_776
cml_spirala_20010511111931_a_777
1
cml_spirala_20010511111931_a_776
cml_spirala_20010511111931_a_785
1
cml_spirala_20010511111931_a_777
cml_spirala_20010511111931_a_778
1
1
cml_spirala_20010511111931_a_777
cml_spirala_20010511111931_a_792
1
cml_spirala_20010511111931_a_778
cml_spirala_20010511111931_a_779
1
1
cml_spirala_20010511111931_a_779
cml_spirala_20010511111931_a_790
1
cml_spirala_20010511111931_a_780
cml_spirala_20010511111931_a_795
1
6
cml_spirala_20010511111931_a_780
cml_spirala_20010511111931_a_823
1
1
cml_spirala_20010511111931_a_781
cml_spirala_20010511111931_a_782
1
6
cml_spirala_20010511111931_a_781
cml_spirala_20010511111931_a_783
1
cml_spirala_20010511111931_a_782
cml_spirala_20010511111931_a_786
1
6
cml_spirala_20010511111931_a_783
cml_spirala_20010511111931_a_788
1
6
cml_spirala_20010511111931_a_783
cml_spirala_20010511111931_a_824
1
1
cml_spirala_20010511111931_a_784
cml_spirala_20010511111931_a_785
1
6
cml_spirala_20010511111931_a_784
cml_spirala_20010511111931_a_787
1
cml_spirala_20010511111931_a_785
cml_spirala_20010511111931_a_798
1
6
cml_spirala_20010511111931_a_786
cml_spirala_20010511111931_a_787
1
6
cml_spirala_20010511111931_a_786
cml_spirala_20010511111931_a_789
1
cml_spirala_20010511111931_a_787
cml_spirala_20010511111931_a_806
1
6
cml_spirala_20010511111931_a_788
cml_spirala_20010511111931_a_789
1
6
cml_spirala_20010511111931_a_789
cml_spirala_20010511111931_a_807
1
6
cml_spirala_20010511111931_a_790
cml_spirala_20010511111931_a_791
1
1
cml_spirala_20010511111931_a_790
cml_spirala_20010511111931_a_793
1
6
cml_spirala_20010511111931_a_791
cml_spirala_20010511111931_a_794
1
cml_spirala_20010511111931_a_792
cml_spirala_20010511111931_a_793
1
1
cml_spirala_20010511111931_a_792
cml_spirala_20010511111931_a_799
1
6
cml_spirala_20010511111931_a_793
cml_spirala_20010511111931_a_796
1
cml_spirala_20010511111931_a_794
cml_spirala_20010511111931_a_795
1
1
cml_spirala_20010511111931_a_794
cml_spirala_20010511111931_a_797
1
6
cml_spirala_20010511111931_a_795
cml_spirala_20010511111931_a_802
1
cml_spirala_20010511111931_a_796
cml_spirala_20010511111931_a_797
1
1
cml_spirala_20010511111931_a_796
cml_spirala_20010511111931_a_801
1
6
cml_spirala_20010511111931_a_797
cml_spirala_20010511111931_a_809
1
cml_spirala_20010511111931_a_798
cml_spirala_20010511111931_a_799
1
cml_spirala_20010511111931_a_798
cml_spirala_20010511111931_a_803
1
cml_spirala_20010511111931_a_799
cml_spirala_20010511111931_a_800
1
cml_spirala_20010511111931_a_800
cml_spirala_20010511111931_a_801
1
1
cml_spirala_20010511111931_a_800
cml_spirala_20010511111931_a_805
1
6
cml_spirala_20010511111931_a_801
cml_spirala_20010511111931_a_811
1
cml_spirala_20010511111931_a_802
cml_spirala_20010511111931_a_810
1
6
cml_spirala_20010511111931_a_803
cml_spirala_20010511111931_a_804
1
6
cml_spirala_20010511111931_a_803
cml_spirala_20010511111931_a_806
1
1
cml_spirala_20010511111931_a_804
cml_spirala_20010511111931_a_805
1
cml_spirala_20010511111931_a_805
cml_spirala_20010511111931_a_814
1
cml_spirala_20010511111931_a_806
cml_spirala_20010511111931_a_808
1
cml_spirala_20010511111931_a_807
cml_spirala_20010511111931_a_808
1
6
cml_spirala_20010511111931_a_809
cml_spirala_20010511111931_a_810
1
1
cml_spirala_20010511111931_a_809
cml_spirala_20010511111931_a_812
1
6
cml_spirala_20010511111931_a_811
cml_spirala_20010511111931_a_812
1
1
cml_spirala_20010511111931_a_811
cml_spirala_20010511111931_a_815
1
6
cml_spirala_20010511111931_a_812
cml_spirala_20010511111931_a_813
1
cml_spirala_20010511111931_a_813
cml_spirala_20010511111931_a_817
1
6
cml_spirala_20010511111931_a_814
cml_spirala_20010511111931_a_815
1
cml_spirala_20010511111931_a_815
cml_spirala_20010511111931_a_816
1
cml_spirala_20010511111931_a_816
cml_spirala_20010511111931_a_817
1
1
cml_spirala_20010511111931_a_818
cml_spirala_20010511111931_a_819
1
cml_spirala_20010511111931_a_818
cml_spirala_20010511111931_a_822
1
6
cml_spirala_20010511111931_a_819
cml_spirala_20010511111931_a_821
1
cml_spirala_20010511111931_a_820
cml_spirala_20010511111931_a_821
1
cml_spirala_20010511111931_a_820
cml_spirala_20010511111931_a_824
1
6
cml_spirala_20010511111931_a_821
cml_spirala_20010511111931_a_825
1
cml_spirala_20010511111931_a_822
cml_spirala_20010511111931_a_823
1
6
cml_spirala_20010511111931_a_822
cml_spirala_20010511111931_a_826
1
cml_spirala_20010511111931_a_824
cml_spirala_20010511111931_a_827
1
cml_spirala_20010511111931_a_825
cml_spirala_20010511111931_a_826
1
cml_spirala_20010511111931_a_825
cml_spirala_20010511111931_a_828
1
6
cml_spirala_20010511111931_a_827
cml_spirala_20010511111931_a_828
1
[molFile 1] A Model of the DNA Molecule, Henry Rzepa [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
CC1CN(C2CC(OP(O)(O)OCC3OC(CC3OP(O)(O)OCC4OC(CC4OP(O)(O)OCC5OC(CC5OP(O)(O)OCC6OC(CC6O)N7CCC(N)NC7O)N8CNC9C8NC(N)NC9O)N%10CCC(N)NC%10O)N%11CNC%12C%11NC(N)NC%12O)C(COP(O)(O)OC%13CC(OC%13COP(O)(O)OC%14CC(OC%14COP(O)(O)OC%15CC(OC%15COP(O)(O)OC%16CC(OC%16COP(O)(O)OC%17CC(OC%17COP(O)(O)OC%18CC(OC%18COP(O)(O)OC%19CC(OC%19COP(O)(O)O)N%20CNC%21C%20NC(N)NC%21O)N%22CCC(N)NC%22O)N%23CNC%24C%23NC(N)NC%24O)N%25CCC(N)NC%25O)N%26CC(C)C(O)NC%26O)N%27CC(C)C(O)NC%27O)N%28CC(C)C(O)NC%28O)O2)C(O)NC1O
-4.2820
0.6200
13.2330
P
-4.3760
-0.8680
12.6900
O
-2.8860
0.6090
14.0210
O
-2.7530
-0.0730
15.2520
C
-1.2900
-0.0810
15.7150
C
-0.7530
1.3140
16.0700
C
-0.0920
1.7180
14.7600
C
0.4940
0.3760
14.3440
C
0.8240
0.3640
12.9050
N
2.0850
0.2570
12.3760
C
3.2360
0.1270
13.0790
N
4.3230
0.0600
12.3090
C
5.5000
-0.0220
12.9180
N
4.2810
0.0840
10.9340
N
3.1130
0.2220
10.1960
C
3.1810
0.2370
8.9700
O
1.9450
0.3120
11.0130
C
0.6010
0.4530
10.6730
N
-0.0150
0.4730
11.8250
C
-0.4840
-0.5960
14.6620
O
0.2010
1.1750
17.1140
O
0.9550
2.4390
17.7770
P
2.4590
2.3020
17.2170
O
3.3010
1.2460
17.6420
C
4.7410
1.4240
17.1380
C
5.3850
2.7290
17.6270
C
5.2490
3.6270
16.4010
C
5.3980
2.6120
15.2700
C
4.7380
3.0590
14.0140
N
3.3870
3.2840
13.9860
C
2.7280
3.5070
12.8260
C
3.5070
3.4730
11.6280
C
2.9080
3.5930
10.4450
N
4.8320
3.2880
11.6510
N
5.4760
3.0950
12.8380
C
6.6900
2.9270
12.8380
O
4.7680
1.4250
15.7180
O
6.7410
2.4730
17.9590
O
7.6720
3.5710
18.6900
P
8.2940
4.3830
17.4520
O
9.3950
3.8640
16.7360
C
9.7030
4.7250
15.5090
C
9.9450
6.2080
15.8470
C
8.6720
6.8500
15.2980
C
8.4590
5.9660
14.0760
C
7.1370
6.1670
13.4410
N
6.9150
6.2300
12.0860
C
7.8630
6.1600
11.1190
N
7.3650
6.2680
9.8850
C
8.2200
6.2280
8.8710
N
6.0260
6.4020
9.6120
N
5.0390
6.4510
10.5870
C
3.8620
6.5310
10.2400
O
5.5640
6.3860
11.9140
C
4.9270
6.4490
13.1530
N
5.8990
6.3130
14.0120
C
8.6150
4.6660
14.5970
O
11.0810
6.6500
15.1220
O
11.8380
8.0380
15.4400
P
12.3380
8.4550
13.9750
O
13.2790
7.6750
13.2650
C
13.1840
7.9920
11.7680
C
13.5340
9.4520
11.4410
C
12.1470
10.0750
11.3490
C
11.3480
8.9280
10.7370
C
9.8880
9.0920
10.9770
N
9.3830
9.1410
12.2520
C
8.0650
9.3370
12.4860
C
7.2180
9.4690
11.3400
C
5.9090
9.6600
11.4900
N
7.7060
9.3950
10.0990
N
9.0350
9.1890
9.8840
C
9.4420
9.0770
8.7320
O
11.8430
7.7560
11.3530
O
14.2190
9.5140
10.1970
O
14.9020
10.8760
9.6500
P
13.6670
11.6920
9.0180
O
13.1380
11.3390
7.7540
C
11.7960
12.0360
7.5020
C
11.8670
13.5760
7.5580
C
11.0950
13.8370
8.8440
C
10.0500
12.7330
8.7610
C
9.2370
12.6120
10.0030
N
9.8120
12.6300
11.2430
C
9.0720
12.6430
12.3740
C
9.7580
12.6480
13.7300
C
7.6290
12.6480
12.3030
C
6.8690
12.6250
13.2660
O
7.1340
12.6330
11.0290
N
7.8570
12.5920
9.8670
C
7.2770
12.5340
8.7830
O
10.8510
11.6130
8.4830
O
11.2090
14.1440
6.4280
O
11.0480
15.7450
6.2140
P
9.7100
16.1220
7.0290
O
8.4460
15.5920
6.6720
C
7.4530
15.7450
7.8350
C
6.8990
17.1670
8.0090
C
7.8190
17.7230
9.0920
C
8.0250
16.4750
9.9500
C
9.2470
16.5510
10.8050
N
10.4660
16.8950
10.2800
C
11.5850
16.9150
11.0400
C
12.9170
17.2710
10.4020
C
11.5270
16.5890
12.4430
C
12.4650
16.6270
13.2330
O
10.2870
16.2080
12.8820
N
9.1440
16.1550
12.1270
C
8.1010
15.7810
12.6520
O
8.1220
15.3980
9.0420
O
5.5500
17.0930
8.4490
O
4.6780
18.4180
8.7390
P
3.2160
18.1310
8.1070
O
2.0540
17.9960
8.9070
C
1.6830
16.5300
9.1810
C
0.5360
16.4440
10.2010
C
1.0080
15.4080
11.2200
C
2.5210
15.3330
10.9920
C
3.3410
16.1110
11.9590
N
2.9220
17.2790
12.5340
C
3.7190
17.9980
13.3580
C
3.1990
19.2780
13.9890
C
5.0790
17.5780
13.5990
C
5.8910
18.1620
14.3120
O
5.4280
16.4100
12.9810
N
4.6540
15.6980
12.1050
C
5.1170
14.7110
11.5410
O
2.7840
15.7990
9.6880
O
-0.7930
16.3280
9.6880
O
-1.4210
15.0720
8.8620
P
-0.6000
14.9660
7.4900
O
-0.6970
15.9600
6.4910
C
0.2930
15.6680
5.3550
C
-0.0870
14.4410
4.5180
C
0.7840
13.3460
5.1270
C
2.0080
14.1210
5.6350
C
2.6610
13.5080
6.8370
N
1.9350
13.0220
7.8960
C
2.5300
12.4800
8.9830
C
1.6920
11.8420
10.0790
C
3.9630
12.4720
9.1030
C
4.5890
12.0720
10.0810
O
4.6250
12.9300
7.9980
N
4.0480
13.4810
6.8790
C
4.7630
13.8970
5.9730
O
1.5790
15.4390
5.9130
O
0.2130
14.7020
3.1550
O
-0.2220
13.6980
1.9690
P
1.0360
12.7050
1.8940
O
2.2570
13.1450
1.3370
C
3.3700
12.1380
1.6310
C
3.0620
10.7240
1.1050
C
2.8690
9.9490
2.4070
C
3.8340
10.6910
3.3220
C
3.6080
10.3730
4.7510
N
4.5920
10.1570
5.6870
C
5.9310
10.2140
5.4740
N
6.6510
9.9540
6.5690
C
7.9770
9.9800
6.4750
N
6.0940
9.6450
7.7840
N
4.7330
9.5710
8.0230
C
4.3430
9.2880
9.1530
O
3.9510
9.8600
6.8640
C
2.5700
9.8930
6.6850
N
2.4280
10.2170
5.4310
C
3.5670
12.0440
3.0360
O
4.1780
10.2650
0.3600
O
4.2250
8.8100
-0.3360
P
5.3070
8.0590
0.5830
O
6.6690
8.4410
0.5340
C
7.5030
7.6500
1.5450
C
7.4970
6.1360
1.2720
C
6.5430
5.6420
2.3540
C
6.8860
6.6100
3.4860
C
5.8400
6.6400
4.5430
N
4.5360
6.9080
4.2270
C
3.5720
6.9380
5.1750
C
3.9860
6.7130
6.5270
C
3.0920
6.7790
7.5110
N
5.2660
6.4890
6.8450
N
6.2170
6.4470
5.8670
C
7.3900
6.2680
6.1780
O
6.9780
7.8650
2.8480
O
8.8080
5.6290
1.4630
O
9.2270
4.1310
1.0330
P
9.9620
3.6040
2.3570
O
11.2480
4.0740
2.7080
C
11.6100
3.6560
4.1380
C
11.7490
2.1370
4.3280
C
10.3480
1.7780
4.8070
C
10.0610
2.9850
5.6910
C
8.6140
3.1190
5.9610
N
8.0370
3.1650
7.2030
C
8.6980
3.0950
8.3830
N
7.8880
3.1010
9.4410
C
8.4510
2.9780
10.6370
N
6.5200
3.2060
9.3500
N
5.8270
3.3010
8.1510
C
4.6020
3.3950
8.1770
O
6.6830
3.2470
7.0090
C
6.3940
3.2410
5.6440
N
7.5690
3.1800
5.0770
C
10.5770
4.1060
5.0050
O
12.7350
1.9020
5.3260
O
13.1190
0.4260
5.8590
P
12.4840
0.4160
7.3390
O
12.9950
1.2650
8.3490
C
12.3350
0.9810
9.7050
C
12.5390
-0.4690
10.1620
C
11.2000
-1.1150
9.8330
C
10.2500
0.0590
10.0660
C
8.9870
-0.1030
9.3010
N
9.0050
-0.0410
7.9330
C
7.8620
-0.0210
7.2120
C
6.6360
-0.0270
7.9490
C
5.4780
0.1060
7.3060
N
6.6160
-0.1340
9.2830
N
7.7820
-0.1870
9.9880
C
7.7470
-0.3080
11.2090
O
10.9380
1.2100
9.6150
O
12.7540
-0.5190
11.5590
O
12.3900
-0.5780
5.0550
O
14.5890
0.3440
5.9930
O
8.0000
3.3260
0.8520
O
10.2270
4.2180
-0.0530
O
2.9180
8.1450
-0.1410
O
4.7900
8.9590
-1.6940
O
-1.3990
12.9210
2.4130
O
-0.2750
14.4670
0.7070
O
-1.1710
13.8240
9.6140
O
-2.8110
15.4350
8.5150
O
4.5630
18.5560
10.2080
O
5.2760
19.5260
7.9630
O
12.1720
16.4210
6.8990
O
10.7970
15.9980
4.7800
O
15.4100
11.6360
10.8120
O
15.8200
10.5150
8.5480
O
10.8370
9.0420
15.8600
O
13.0180
7.7530
16.2840
O
6.8030
4.4910
19.4540
O
8.7740
2.8570
19.3700
O
0.3780
3.6750
17.2090
O
0.9820
2.2390
19.2420
O
-4.1290
1.4570
12.0270
O
-5.3760
0.8690
14.1940
O
-3.7800
-0.8620
11.9420
H
-3.0770
-1.1060
15.1260
H
-3.3770
0.4020
16.0110
H
-1.2170
-0.7300
16.5890
H
-1.5500
2.0000
16.3620
H
0.6640
2.4880
14.8850
H
-0.8490
2.0540
14.0520
H
1.3820
0.1760
14.9450
H
5.5040
0.0590
13.9260
H
6.3690
-0.0550
12.3960
H
5.1440
0.0330
10.3920
H
-1.0870
0.5730
11.9160
H
2.9060
0.3000
17.2710
H
3.3260
1.2110
18.7320
H
5.3250
0.5770
17.5020
H
4.8510
3.1350
18.4880
H
6.0130
4.4000
16.3580
H
4.2610
4.0850
16.4190
H
6.4600
2.3970
15.1490
H
2.8270
3.2670
14.9070
H
1.6630
3.6770
12.8470
H
1.9110
3.7190
10.3820
H
3.4680
3.5780
9.6010
H
9.1740
2.8470
16.4060
H
10.2720
3.8430
17.3850
H
10.5900
4.3160
15.0230
H
10.0740
6.3760
16.9180
H
8.7940
7.9010
15.0480
H
7.8700
6.7180
16.0240
H
9.2520
6.1590
13.3520
H
9.2010
6.1140
9.0710
H
7.9120
6.3270
7.9120
H
5.7160
6.4630
8.6410
H
5.7330
6.3220
15.0780
H
13.0600
6.6140
13.3970
H
14.2840
7.8760
13.6370
H
13.8600
7.3250
11.2310
H
14.1330
9.9030
12.2340
H
12.1270
10.9530
10.7150
H
11.8050
10.3280
12.3510
H
11.6050
8.8730
9.6790
H
10.0480
9.0320
13.0940
H
7.7070
9.3890
13.5020
H
5.4970
9.7310
12.4060
H
5.3250
9.7900
10.6680
H
12.9780
10.2600
7.7130
H
13.8460
11.6200
6.9730
H
11.4340
11.7340
6.5180
H
12.8940
13.9380
7.6240
H
10.6390
14.8130
8.8780
H
11.7850
13.7100
9.6760
H
9.4260
12.9240
7.8890
H
10.8840
12.6440
11.3340
H
9.9320
11.6210
14.0600
H
9.1200
13.1450
14.4630
H
10.7100
13.1760
13.6830
H
6.1240
12.6730
10.9250
H
8.5490
14.5270
6.4620
H
8.0680
16.0840
5.7750
H
6.6220
15.0610
7.6620
H
6.9650
17.7410
7.0840
H
7.3750
18.5410
9.6590
H
8.7270
18.0660
8.6020
H
7.1170
16.3370
10.5350
H
10.5580
17.1300
9.2300
H
13.7390
16.8490
10.9820
H
13.0280
18.3550
10.3660
H
12.9730
16.8720
9.3860
H
10.2020
15.9380
13.8450
H
1.2260
18.4380
8.3540
H
2.1640
18.5560
9.8360
H
1.4130
16.0600
8.2470
H
0.5090
17.3910
10.7340
H
0.6110
14.4280
10.9780
H
0.7240
15.6490
12.2430
H
2.7980
14.2830
11.0630
H
1.9290
17.6460
12.3500
H
3.3100
20.0910
13.2690
H
3.7760
19.5180
14.8830
H
2.1490
19.1770
14.2650
H
6.3910
16.1100
13.0520
H
-0.4500
16.9300
6.9250
H
-1.7130
16.0040
6.0970
H
0.3270
16.5470
4.7110
H
-1.1490
14.2130
4.6250
H
1.0710
12.5910
4.4000
H
0.1970
12.8790
5.9110
H
2.6930
14.1870
4.7890
H
0.8590
13.0360
7.8780
H
2.1250
12.0480
11.0570
H
1.6880
10.7620
9.9230
H
0.6640
12.2040
10.0590
H
5.6390
12.9090
8.0520
H
2.5380
14.1050
1.7720
H
2.1470
13.2620
0.2580
H
4.2910
12.5020
1.1730
H
2.1630
10.7010
0.4880
H
3.0940
8.8890
2.3210
H
1.8370
10.0900
2.7270
H
4.8580
10.4520
3.0320
H
8.3860
10.2030
5.5820
H
8.5650
9.7600
7.2710
H
6.6950
9.5000
8.5940
H
1.4560
10.3260
4.9740
H
6.7550
9.5030
0.7690
H
7.0640
8.2700
-0.4680
H
8.5280
8.0200
1.5050
H
7.1380
5.9040
0.2680
H
6.7050
4.6020
2.6240
H
5.5270
5.7710
1.9880
H
7.8740
6.3460
3.8670
H
4.2660
7.1010
3.2000
H
2.5540
7.1490
4.8880
H
2.1660
7.1300
7.3240
H
3.3890
6.6630
8.4730
H
11.2570
5.1650
2.6620
H
11.9910
3.6880
2.0090
H
12.5500
4.1440
4.4040
H
12.0110
1.6250
3.4010
H
10.3050
0.8360
5.3460
H
9.6740
1.7400
3.9540
H
10.6160
2.8720
6.6230
H
9.4540
2.8720
10.6700
H
7.9070
3.0190
11.4910
H
5.9500
3.2110
10.1950
H
7.7080
3.1500
4.0080
H
12.8160
2.3050
8.0740
H
14.0700
1.1100
8.4510
H
12.7650
1.6620
10.4410
H
13.3650
-0.9570
9.6420
H
10.9680
-1.9660
10.4730
H
11.2060
-1.4200
8.7870
H
10.0910
0.1730
11.1390
H
9.9530
0.0060
7.4220
H
7.9150
0.0350
6.1350
H
5.4600
0.3030
6.3170
H
4.6170
0.1410
7.8400
H
12.9770
-1.4190
11.8050
H
cml_dna_20010511111932_a_ 1
cml_dna_20010511111932_a_ 2
1
cml_dna_20010511111932_a_ 1
cml_dna_20010511111932_a_ 3
1
cml_dna_20010511111932_a_ 1
cml_dna_20010511111932_a_244
1
cml_dna_20010511111932_a_ 1
cml_dna_20010511111932_a_245
1
cml_dna_20010511111932_a_ 2
cml_dna_20010511111932_a_246
1
cml_dna_20010511111932_a_ 3
cml_dna_20010511111932_a_ 4
1
cml_dna_20010511111932_a_ 4
cml_dna_20010511111932_a_ 5
1
cml_dna_20010511111932_a_ 4
cml_dna_20010511111932_a_247
1
cml_dna_20010511111932_a_ 4
cml_dna_20010511111932_a_248
1
cml_dna_20010511111932_a_ 5
cml_dna_20010511111932_a_ 6
1
cml_dna_20010511111932_a_ 5
cml_dna_20010511111932_a_20
1
cml_dna_20010511111932_a_ 5
cml_dna_20010511111932_a_249
1
cml_dna_20010511111932_a_ 6
cml_dna_20010511111932_a_ 7
1
cml_dna_20010511111932_a_ 6
cml_dna_20010511111932_a_21
1
cml_dna_20010511111932_a_ 6
cml_dna_20010511111932_a_250
1
cml_dna_20010511111932_a_ 7
cml_dna_20010511111932_a_ 8
1
cml_dna_20010511111932_a_ 7
cml_dna_20010511111932_a_251
1
cml_dna_20010511111932_a_ 7
cml_dna_20010511111932_a_252
1
cml_dna_20010511111932_a_ 8
cml_dna_20010511111932_a_ 9
1
cml_dna_20010511111932_a_ 8
cml_dna_20010511111932_a_20
1
cml_dna_20010511111932_a_ 8
cml_dna_20010511111932_a_253
1
cml_dna_20010511111932_a_ 9
cml_dna_20010511111932_a_10
1
cml_dna_20010511111932_a_ 9
cml_dna_20010511111932_a_19
1
cml_dna_20010511111932_a_10
cml_dna_20010511111932_a_11
1
cml_dna_20010511111932_a_10
cml_dna_20010511111932_a_17
1
cml_dna_20010511111932_a_11
cml_dna_20010511111932_a_12
1
cml_dna_20010511111932_a_12
cml_dna_20010511111932_a_13
1
cml_dna_20010511111932_a_12
cml_dna_20010511111932_a_14
1
cml_dna_20010511111932_a_13
cml_dna_20010511111932_a_254
1
cml_dna_20010511111932_a_13
cml_dna_20010511111932_a_255
1
cml_dna_20010511111932_a_14
cml_dna_20010511111932_a_15
1
cml_dna_20010511111932_a_14
cml_dna_20010511111932_a_256
1
cml_dna_20010511111932_a_15
cml_dna_20010511111932_a_16
1
cml_dna_20010511111932_a_15
cml_dna_20010511111932_a_17
1
cml_dna_20010511111932_a_17
cml_dna_20010511111932_a_18
1
cml_dna_20010511111932_a_18
cml_dna_20010511111932_a_19
1
cml_dna_20010511111932_a_19
cml_dna_20010511111932_a_257
1
cml_dna_20010511111932_a_21
cml_dna_20010511111932_a_22
1
cml_dna_20010511111932_a_22
cml_dna_20010511111932_a_23
1
cml_dna_20010511111932_a_22
cml_dna_20010511111932_a_242
1
cml_dna_20010511111932_a_22
cml_dna_20010511111932_a_243
1
cml_dna_20010511111932_a_23
cml_dna_20010511111932_a_24
1
cml_dna_20010511111932_a_24
cml_dna_20010511111932_a_25
1
cml_dna_20010511111932_a_24
cml_dna_20010511111932_a_258
1
cml_dna_20010511111932_a_24
cml_dna_20010511111932_a_259
1
cml_dna_20010511111932_a_25
cml_dna_20010511111932_a_26
1
cml_dna_20010511111932_a_25
cml_dna_20010511111932_a_37
1
cml_dna_20010511111932_a_25
cml_dna_20010511111932_a_260
1
cml_dna_20010511111932_a_26
cml_dna_20010511111932_a_27
1
cml_dna_20010511111932_a_26
cml_dna_20010511111932_a_38
1
cml_dna_20010511111932_a_26
cml_dna_20010511111932_a_261
1
cml_dna_20010511111932_a_27
cml_dna_20010511111932_a_28
1
cml_dna_20010511111932_a_27
cml_dna_20010511111932_a_262
1
cml_dna_20010511111932_a_27
cml_dna_20010511111932_a_263
1
cml_dna_20010511111932_a_28
cml_dna_20010511111932_a_29
1
cml_dna_20010511111932_a_28
cml_dna_20010511111932_a_37
1
cml_dna_20010511111932_a_28
cml_dna_20010511111932_a_264
1
cml_dna_20010511111932_a_29
cml_dna_20010511111932_a_30
1
cml_dna_20010511111932_a_29
cml_dna_20010511111932_a_35
1
cml_dna_20010511111932_a_30
cml_dna_20010511111932_a_31
1
cml_dna_20010511111932_a_30
cml_dna_20010511111932_a_265
1
cml_dna_20010511111932_a_31
cml_dna_20010511111932_a_32
1
cml_dna_20010511111932_a_31
cml_dna_20010511111932_a_266
1
cml_dna_20010511111932_a_32
cml_dna_20010511111932_a_33
1
cml_dna_20010511111932_a_32
cml_dna_20010511111932_a_34
1
cml_dna_20010511111932_a_33
cml_dna_20010511111932_a_267
1
cml_dna_20010511111932_a_33
cml_dna_20010511111932_a_268
1
cml_dna_20010511111932_a_34
cml_dna_20010511111932_a_35
1
cml_dna_20010511111932_a_35
cml_dna_20010511111932_a_36
1
cml_dna_20010511111932_a_38
cml_dna_20010511111932_a_39
1
cml_dna_20010511111932_a_39
cml_dna_20010511111932_a_40
1
cml_dna_20010511111932_a_39
cml_dna_20010511111932_a_240
1
cml_dna_20010511111932_a_39
cml_dna_20010511111932_a_241
1
cml_dna_20010511111932_a_40
cml_dna_20010511111932_a_41
1
cml_dna_20010511111932_a_41
cml_dna_20010511111932_a_42
1
cml_dna_20010511111932_a_41
cml_dna_20010511111932_a_269
1
cml_dna_20010511111932_a_41
cml_dna_20010511111932_a_270
1
cml_dna_20010511111932_a_42
cml_dna_20010511111932_a_43
1
cml_dna_20010511111932_a_42
cml_dna_20010511111932_a_57
1
cml_dna_20010511111932_a_42
cml_dna_20010511111932_a_271
1
cml_dna_20010511111932_a_43
cml_dna_20010511111932_a_44
1
cml_dna_20010511111932_a_43
cml_dna_20010511111932_a_58
1
cml_dna_20010511111932_a_43
cml_dna_20010511111932_a_272
1
cml_dna_20010511111932_a_44
cml_dna_20010511111932_a_45
1
cml_dna_20010511111932_a_44
cml_dna_20010511111932_a_273
1
cml_dna_20010511111932_a_44
cml_dna_20010511111932_a_274
1
cml_dna_20010511111932_a_45
cml_dna_20010511111932_a_46
1
cml_dna_20010511111932_a_45
cml_dna_20010511111932_a_57
1
cml_dna_20010511111932_a_45
cml_dna_20010511111932_a_275
1
cml_dna_20010511111932_a_46
cml_dna_20010511111932_a_47
1
cml_dna_20010511111932_a_46
cml_dna_20010511111932_a_56
1
cml_dna_20010511111932_a_47
cml_dna_20010511111932_a_48
1
cml_dna_20010511111932_a_47
cml_dna_20010511111932_a_54
1
cml_dna_20010511111932_a_48
cml_dna_20010511111932_a_49
1
cml_dna_20010511111932_a_49
cml_dna_20010511111932_a_50
1
cml_dna_20010511111932_a_49
cml_dna_20010511111932_a_51
1
cml_dna_20010511111932_a_50
cml_dna_20010511111932_a_276
1
cml_dna_20010511111932_a_50
cml_dna_20010511111932_a_277
1
cml_dna_20010511111932_a_51
cml_dna_20010511111932_a_52
1
cml_dna_20010511111932_a_51
cml_dna_20010511111932_a_278
1
cml_dna_20010511111932_a_52
cml_dna_20010511111932_a_53
1
cml_dna_20010511111932_a_52
cml_dna_20010511111932_a_54
1
cml_dna_20010511111932_a_54
cml_dna_20010511111932_a_55
1
cml_dna_20010511111932_a_55
cml_dna_20010511111932_a_56
1
cml_dna_20010511111932_a_56
cml_dna_20010511111932_a_279
1
cml_dna_20010511111932_a_58
cml_dna_20010511111932_a_59
1
cml_dna_20010511111932_a_59
cml_dna_20010511111932_a_60
1
cml_dna_20010511111932_a_59
cml_dna_20010511111932_a_238
1
cml_dna_20010511111932_a_59
cml_dna_20010511111932_a_239
1
cml_dna_20010511111932_a_60
cml_dna_20010511111932_a_61
1
cml_dna_20010511111932_a_61
cml_dna_20010511111932_a_62
1
cml_dna_20010511111932_a_61
cml_dna_20010511111932_a_280
1
cml_dna_20010511111932_a_61
cml_dna_20010511111932_a_281
1
cml_dna_20010511111932_a_62
cml_dna_20010511111932_a_63
1
cml_dna_20010511111932_a_62
cml_dna_20010511111932_a_74
1
cml_dna_20010511111932_a_62
cml_dna_20010511111932_a_282
1
cml_dna_20010511111932_a_63
cml_dna_20010511111932_a_64
1
cml_dna_20010511111932_a_63
cml_dna_20010511111932_a_75
1
cml_dna_20010511111932_a_63
cml_dna_20010511111932_a_283
1
cml_dna_20010511111932_a_64
cml_dna_20010511111932_a_65
1
cml_dna_20010511111932_a_64
cml_dna_20010511111932_a_284
1
cml_dna_20010511111932_a_64
cml_dna_20010511111932_a_285
1
cml_dna_20010511111932_a_65
cml_dna_20010511111932_a_66
1
cml_dna_20010511111932_a_65
cml_dna_20010511111932_a_74
1
cml_dna_20010511111932_a_65
cml_dna_20010511111932_a_286
1
cml_dna_20010511111932_a_66
cml_dna_20010511111932_a_67
1
cml_dna_20010511111932_a_66
cml_dna_20010511111932_a_72
1
cml_dna_20010511111932_a_67
cml_dna_20010511111932_a_68
1
cml_dna_20010511111932_a_67
cml_dna_20010511111932_a_287
1
cml_dna_20010511111932_a_68
cml_dna_20010511111932_a_69
1
cml_dna_20010511111932_a_68
cml_dna_20010511111932_a_288
1
cml_dna_20010511111932_a_69
cml_dna_20010511111932_a_70
1
cml_dna_20010511111932_a_69
cml_dna_20010511111932_a_71
1
cml_dna_20010511111932_a_70
cml_dna_20010511111932_a_289
1
cml_dna_20010511111932_a_70
cml_dna_20010511111932_a_290
1
cml_dna_20010511111932_a_71
cml_dna_20010511111932_a_72
1
cml_dna_20010511111932_a_72
cml_dna_20010511111932_a_73
1
cml_dna_20010511111932_a_75
cml_dna_20010511111932_a_76
1
cml_dna_20010511111932_a_76
cml_dna_20010511111932_a_77
1
cml_dna_20010511111932_a_76
cml_dna_20010511111932_a_236
1
cml_dna_20010511111932_a_76
cml_dna_20010511111932_a_237
1
cml_dna_20010511111932_a_77
cml_dna_20010511111932_a_78
1
cml_dna_20010511111932_a_78
cml_dna_20010511111932_a_79
1
cml_dna_20010511111932_a_78
cml_dna_20010511111932_a_291
1
cml_dna_20010511111932_a_78
cml_dna_20010511111932_a_292
1
cml_dna_20010511111932_a_79
cml_dna_20010511111932_a_80
1
cml_dna_20010511111932_a_79
cml_dna_20010511111932_a_92
1
cml_dna_20010511111932_a_79
cml_dna_20010511111932_a_293
1
cml_dna_20010511111932_a_80
cml_dna_20010511111932_a_81
1
cml_dna_20010511111932_a_80
cml_dna_20010511111932_a_93
1
cml_dna_20010511111932_a_80
cml_dna_20010511111932_a_294
1
cml_dna_20010511111932_a_81
cml_dna_20010511111932_a_82
1
cml_dna_20010511111932_a_81
cml_dna_20010511111932_a_295
1
cml_dna_20010511111932_a_81
cml_dna_20010511111932_a_296
1
cml_dna_20010511111932_a_82
cml_dna_20010511111932_a_83
1
cml_dna_20010511111932_a_82
cml_dna_20010511111932_a_92
1
cml_dna_20010511111932_a_82
cml_dna_20010511111932_a_297
1
cml_dna_20010511111932_a_83
cml_dna_20010511111932_a_84
1
cml_dna_20010511111932_a_83
cml_dna_20010511111932_a_90
1
cml_dna_20010511111932_a_84
cml_dna_20010511111932_a_85
1
cml_dna_20010511111932_a_84
cml_dna_20010511111932_a_298
1
cml_dna_20010511111932_a_85
cml_dna_20010511111932_a_86
1
cml_dna_20010511111932_a_85
cml_dna_20010511111932_a_87
1
cml_dna_20010511111932_a_86
cml_dna_20010511111932_a_299
1
cml_dna_20010511111932_a_86
cml_dna_20010511111932_a_300
1
cml_dna_20010511111932_a_86
cml_dna_20010511111932_a_301
1
cml_dna_20010511111932_a_87
cml_dna_20010511111932_a_88
1
cml_dna_20010511111932_a_87
cml_dna_20010511111932_a_89
1
cml_dna_20010511111932_a_89
cml_dna_20010511111932_a_90
1
cml_dna_20010511111932_a_89
cml_dna_20010511111932_a_302
1
cml_dna_20010511111932_a_90
cml_dna_20010511111932_a_91
1
cml_dna_20010511111932_a_93
cml_dna_20010511111932_a_94
1
cml_dna_20010511111932_a_94
cml_dna_20010511111932_a_95
1
cml_dna_20010511111932_a_94
cml_dna_20010511111932_a_234
1
cml_dna_20010511111932_a_94
cml_dna_20010511111932_a_235
1
cml_dna_20010511111932_a_95
cml_dna_20010511111932_a_96
1
cml_dna_20010511111932_a_96
cml_dna_20010511111932_a_97
1
cml_dna_20010511111932_a_96
cml_dna_20010511111932_a_303
1
cml_dna_20010511111932_a_96
cml_dna_20010511111932_a_304
1
cml_dna_20010511111932_a_97
cml_dna_20010511111932_a_98
1
cml_dna_20010511111932_a_97
cml_dna_20010511111932_a_110
1
cml_dna_20010511111932_a_97
cml_dna_20010511111932_a_305
1
cml_dna_20010511111932_a_98
cml_dna_20010511111932_a_99
1
cml_dna_20010511111932_a_98
cml_dna_20010511111932_a_111
1
cml_dna_20010511111932_a_98
cml_dna_20010511111932_a_306
1
cml_dna_20010511111932_a_99
cml_dna_20010511111932_a_100
1
cml_dna_20010511111932_a_99
cml_dna_20010511111932_a_307
1
cml_dna_20010511111932_a_99
cml_dna_20010511111932_a_308
1
cml_dna_20010511111932_a_100
cml_dna_20010511111932_a_101
1
1
cml_dna_20010511111932_a_100
cml_dna_20010511111932_a_110
1
6
cml_dna_20010511111932_a_100
cml_dna_20010511111932_a_309
1
1
cml_dna_20010511111932_a_101
cml_dna_20010511111932_a_102
1
cml_dna_20010511111932_a_101
cml_dna_20010511111932_a_108
1
1
cml_dna_20010511111932_a_102
cml_dna_20010511111932_a_103
1
1
cml_dna_20010511111932_a_102
cml_dna_20010511111932_a_310
1
6
cml_dna_20010511111932_a_103
cml_dna_20010511111932_a_104
1
cml_dna_20010511111932_a_103
cml_dna_20010511111932_a_105
1
1
cml_dna_20010511111932_a_104
cml_dna_20010511111932_a_311
1
1
cml_dna_20010511111932_a_104
cml_dna_20010511111932_a_312
1
cml_dna_20010511111932_a_104
cml_dna_20010511111932_a_313
1
6
cml_dna_20010511111932_a_105
cml_dna_20010511111932_a_106
1
1
cml_dna_20010511111932_a_105
cml_dna_20010511111932_a_107
1
cml_dna_20010511111932_a_107
cml_dna_20010511111932_a_108
1
6
cml_dna_20010511111932_a_107
cml_dna_20010511111932_a_314
1
1
cml_dna_20010511111932_a_108
cml_dna_20010511111932_a_109
1
cml_dna_20010511111932_a_111
cml_dna_20010511111932_a_112
1
cml_dna_20010511111932_a_112
cml_dna_20010511111932_a_113
1
cml_dna_20010511111932_a_112
cml_dna_20010511111932_a_232
1
1
cml_dna_20010511111932_a_112
cml_dna_20010511111932_a_233
1
6
cml_dna_20010511111932_a_113
cml_dna_20010511111932_a_114
1
1
cml_dna_20010511111932_a_114
cml_dna_20010511111932_a_115
1
cml_dna_20010511111932_a_114
cml_dna_20010511111932_a_315
1
6
cml_dna_20010511111932_a_114
cml_dna_20010511111932_a_316
1
1
cml_dna_20010511111932_a_115
cml_dna_20010511111932_a_116
1
1
cml_dna_20010511111932_a_115
cml_dna_20010511111932_a_128
1
cml_dna_20010511111932_a_115
cml_dna_20010511111932_a_317
1
6
cml_dna_20010511111932_a_116
cml_dna_20010511111932_a_117
1
1
cml_dna_20010511111932_a_116
cml_dna_20010511111932_a_129
1
cml_dna_20010511111932_a_116
cml_dna_20010511111932_a_318
1
1
cml_dna_20010511111932_a_117
cml_dna_20010511111932_a_118
1
cml_dna_20010511111932_a_117
cml_dna_20010511111932_a_319
1
cml_dna_20010511111932_a_117
cml_dna_20010511111932_a_320
1
1
cml_dna_20010511111932_a_118
cml_dna_20010511111932_a_119
1
1
cml_dna_20010511111932_a_118
cml_dna_20010511111932_a_128
1
6
cml_dna_20010511111932_a_118
cml_dna_20010511111932_a_321
1
cml_dna_20010511111932_a_119
cml_dna_20010511111932_a_120
1
cml_dna_20010511111932_a_119
cml_dna_20010511111932_a_126
1
cml_dna_20010511111932_a_120
cml_dna_20010511111932_a_121
1
1
cml_dna_20010511111932_a_120
cml_dna_20010511111932_a_322
1
cml_dna_20010511111932_a_121
cml_dna_20010511111932_a_122
1
cml_dna_20010511111932_a_121
cml_dna_20010511111932_a_123
1
cml_dna_20010511111932_a_122
cml_dna_20010511111932_a_323
1
6
cml_dna_20010511111932_a_122
cml_dna_20010511111932_a_324
1
1
cml_dna_20010511111932_a_122
cml_dna_20010511111932_a_325
1
cml_dna_20010511111932_a_123
cml_dna_20010511111932_a_124
1
1
cml_dna_20010511111932_a_123
cml_dna_20010511111932_a_125
1
6
cml_dna_20010511111932_a_125
cml_dna_20010511111932_a_126
1
6
cml_dna_20010511111932_a_125
cml_dna_20010511111932_a_326
1
cml_dna_20010511111932_a_126
cml_dna_20010511111932_a_127
1
6
cml_dna_20010511111932_a_129
cml_dna_20010511111932_a_130
1
6
cml_dna_20010511111932_a_130
cml_dna_20010511111932_a_131
1
6
cml_dna_20010511111932_a_130
cml_dna_20010511111932_a_230
1
1
cml_dna_20010511111932_a_130
cml_dna_20010511111932_a_231
1
cml_dna_20010511111932_a_131
cml_dna_20010511111932_a_132
1
6
cml_dna_20010511111932_a_132
cml_dna_20010511111932_a_133
1
6
cml_dna_20010511111932_a_132
cml_dna_20010511111932_a_327
1
cml_dna_20010511111932_a_132
cml_dna_20010511111932_a_328
1
cml_dna_20010511111932_a_133
cml_dna_20010511111932_a_134
1
6
cml_dna_20010511111932_a_133
cml_dna_20010511111932_a_146
1
cml_dna_20010511111932_a_133
cml_dna_20010511111932_a_329
1
6
cml_dna_20010511111932_a_134
cml_dna_20010511111932_a_135
1
cml_dna_20010511111932_a_134
cml_dna_20010511111932_a_147
1
6
cml_dna_20010511111932_a_134
cml_dna_20010511111932_a_330
1
cml_dna_20010511111932_a_135
cml_dna_20010511111932_a_136
1
cml_dna_20010511111932_a_135
cml_dna_20010511111932_a_331
1
6
cml_dna_20010511111932_a_135
cml_dna_20010511111932_a_332
1
1
cml_dna_20010511111932_a_136
cml_dna_20010511111932_a_137
1
1
cml_dna_20010511111932_a_136
cml_dna_20010511111932_a_146
1
cml_dna_20010511111932_a_136
cml_dna_20010511111932_a_333
1
6
cml_dna_20010511111932_a_137
cml_dna_20010511111932_a_138
1
1
cml_dna_20010511111932_a_137
cml_dna_20010511111932_a_144
1
cml_dna_20010511111932_a_138
cml_dna_20010511111932_a_139
1
1
cml_dna_20010511111932_a_138
cml_dna_20010511111932_a_334
1
cml_dna_20010511111932_a_139
cml_dna_20010511111932_a_140
1
1
cml_dna_20010511111932_a_139
cml_dna_20010511111932_a_141
1
cml_dna_20010511111932_a_140
cml_dna_20010511111932_a_335
1
1
cml_dna_20010511111932_a_140
cml_dna_20010511111932_a_336
1
cml_dna_20010511111932_a_140
cml_dna_20010511111932_a_337
1
cml_dna_20010511111932_a_141
cml_dna_20010511111932_a_142
1
1
cml_dna_20010511111932_a_141
cml_dna_20010511111932_a_143
1
6
cml_dna_20010511111932_a_143
cml_dna_20010511111932_a_144
1
6
cml_dna_20010511111932_a_143
cml_dna_20010511111932_a_338
1
cml_dna_20010511111932_a_144
cml_dna_20010511111932_a_145
1
6
cml_dna_20010511111932_a_147
cml_dna_20010511111932_a_148
1
6
cml_dna_20010511111932_a_148
cml_dna_20010511111932_a_149
1
cml_dna_20010511111932_a_148
cml_dna_20010511111932_a_228
1
cml_dna_20010511111932_a_148
cml_dna_20010511111932_a_229
1
6
cml_dna_20010511111932_a_149
cml_dna_20010511111932_a_150
1
cml_dna_20010511111932_a_150
cml_dna_20010511111932_a_151
1
cml_dna_20010511111932_a_150
cml_dna_20010511111932_a_339
1
cml_dna_20010511111932_a_150
cml_dna_20010511111932_a_340
1
6
cml_dna_20010511111932_a_151
cml_dna_20010511111932_a_152
1
cml_dna_20010511111932_a_151
cml_dna_20010511111932_a_166
1
1
cml_dna_20010511111932_a_151
cml_dna_20010511111932_a_341
1
cml_dna_20010511111932_a_152
cml_dna_20010511111932_a_153
1
1
cml_dna_20010511111932_a_152
cml_dna_20010511111932_a_167
1
6
cml_dna_20010511111932_a_152
cml_dna_20010511111932_a_342
1
6
cml_dna_20010511111932_a_153
cml_dna_20010511111932_a_154
1
1
cml_dna_20010511111932_a_153
cml_dna_20010511111932_a_343
1
cml_dna_20010511111932_a_153
cml_dna_20010511111932_a_344
1
cml_dna_20010511111932_a_154
cml_dna_20010511111932_a_155
1
1
cml_dna_20010511111932_a_154
cml_dna_20010511111932_a_166
1
cml_dna_20010511111932_a_154
cml_dna_20010511111932_a_345
1
cml_dna_20010511111932_a_155
cml_dna_20010511111932_a_156
1
1
cml_dna_20010511111932_a_155
cml_dna_20010511111932_a_165
1
1
cml_dna_20010511111932_a_156
cml_dna_20010511111932_a_157
1
cml_dna_20010511111932_a_156
cml_dna_20010511111932_a_163
1
1
cml_dna_20010511111932_a_157
cml_dna_20010511111932_a_158
1
1
cml_dna_20010511111932_a_158
cml_dna_20010511111932_a_159
1
cml_dna_20010511111932_a_158
cml_dna_20010511111932_a_160
1
1
cml_dna_20010511111932_a_159
cml_dna_20010511111932_a_346
1
6
cml_dna_20010511111932_a_159
cml_dna_20010511111932_a_347
1
1
cml_dna_20010511111932_a_160
cml_dna_20010511111932_a_161
1
cml_dna_20010511111932_a_160
cml_dna_20010511111932_a_348
1
1
cml_dna_20010511111932_a_161
cml_dna_20010511111932_a_162
1
1
cml_dna_20010511111932_a_161
cml_dna_20010511111932_a_163
1
6
cml_dna_20010511111932_a_163
cml_dna_20010511111932_a_164
1
cml_dna_20010511111932_a_164
cml_dna_20010511111932_a_165
1
6
cml_dna_20010511111932_a_165
cml_dna_20010511111932_a_349
1
cml_dna_20010511111932_a_167
cml_dna_20010511111932_a_168
1
cml_dna_20010511111932_a_168
cml_dna_20010511111932_a_169
1
1
cml_dna_20010511111932_a_168
cml_dna_20010511111932_a_226
1
cml_dna_20010511111932_a_168
cml_dna_20010511111932_a_227
1
6
cml_dna_20010511111932_a_169
cml_dna_20010511111932_a_170
1
cml_dna_20010511111932_a_170
cml_dna_20010511111932_a_171
1
1
cml_dna_20010511111932_a_170
cml_dna_20010511111932_a_350
1
cml_dna_20010511111932_a_170
cml_dna_20010511111932_a_351
1
6
cml_dna_20010511111932_a_171
cml_dna_20010511111932_a_172
1
cml_dna_20010511111932_a_171
cml_dna_20010511111932_a_183
1
1
cml_dna_20010511111932_a_171
cml_dna_20010511111932_a_352
1
cml_dna_20010511111932_a_172
cml_dna_20010511111932_a_173
1
1
cml_dna_20010511111932_a_172
cml_dna_20010511111932_a_184
1
cml_dna_20010511111932_a_172
cml_dna_20010511111932_a_353
1
6
cml_dna_20010511111932_a_173
cml_dna_20010511111932_a_174
1
1
cml_dna_20010511111932_a_173
cml_dna_20010511111932_a_354
1
cml_dna_20010511111932_a_173
cml_dna_20010511111932_a_355
1
cml_dna_20010511111932_a_174
cml_dna_20010511111932_a_175
1
1
cml_dna_20010511111932_a_174
cml_dna_20010511111932_a_183
1
6
cml_dna_20010511111932_a_174
cml_dna_20010511111932_a_356
1
cml_dna_20010511111932_a_175
cml_dna_20010511111932_a_176
1
cml_dna_20010511111932_a_175
cml_dna_20010511111932_a_181
1
1
cml_dna_20010511111932_a_176
cml_dna_20010511111932_a_177
1
1
cml_dna_20010511111932_a_176
cml_dna_20010511111932_a_357
1
6
cml_dna_20010511111932_a_177
cml_dna_20010511111932_a_178
1
1
cml_dna_20010511111932_a_177
cml_dna_20010511111932_a_358
1
cml_dna_20010511111932_a_178
cml_dna_20010511111932_a_179
1
1
cml_dna_20010511111932_a_178
cml_dna_20010511111932_a_180
1
cml_dna_20010511111932_a_179
cml_dna_20010511111932_a_359
1
cml_dna_20010511111932_a_179
cml_dna_20010511111932_a_360
1
1
cml_dna_20010511111932_a_180
cml_dna_20010511111932_a_181
1
6
cml_dna_20010511111932_a_181
cml_dna_20010511111932_a_182
1
cml_dna_20010511111932_a_184
cml_dna_20010511111932_a_185
1
cml_dna_20010511111932_a_185
cml_dna_20010511111932_a_186
1
1
cml_dna_20010511111932_a_185
cml_dna_20010511111932_a_224
1
cml_dna_20010511111932_a_185
cml_dna_20010511111932_a_225
1
6
cml_dna_20010511111932_a_186
cml_dna_20010511111932_a_187
1
cml_dna_20010511111932_a_187
cml_dna_20010511111932_a_188
1
1
cml_dna_20010511111932_a_187
cml_dna_20010511111932_a_361
1
cml_dna_20010511111932_a_187
cml_dna_20010511111932_a_362
1
6
cml_dna_20010511111932_a_188
cml_dna_20010511111932_a_189
1
cml_dna_20010511111932_a_188
cml_dna_20010511111932_a_203
1
1
cml_dna_20010511111932_a_188
cml_dna_20010511111932_a_363
1
cml_dna_20010511111932_a_189
cml_dna_20010511111932_a_190
1
cml_dna_20010511111932_a_189
cml_dna_20010511111932_a_204
1
1
cml_dna_20010511111932_a_189
cml_dna_20010511111932_a_364
1
6
cml_dna_20010511111932_a_190
cml_dna_20010511111932_a_191
1
1
cml_dna_20010511111932_a_190
cml_dna_20010511111932_a_365
1
1
cml_dna_20010511111932_a_190
cml_dna_20010511111932_a_366
1
6
cml_dna_20010511111932_a_191
cml_dna_20010511111932_a_192
1
cml_dna_20010511111932_a_191
cml_dna_20010511111932_a_203
1
6
cml_dna_20010511111932_a_191
cml_dna_20010511111932_a_367
1
1
cml_dna_20010511111932_a_192
cml_dna_20010511111932_a_193
1
1
cml_dna_20010511111932_a_192
cml_dna_20010511111932_a_202
1
6
cml_dna_20010511111932_a_193
cml_dna_20010511111932_a_194
1
1
cml_dna_20010511111932_a_193
cml_dna_20010511111932_a_200
1
cml_dna_20010511111932_a_194
cml_dna_20010511111932_a_195
1
1
cml_dna_20010511111932_a_195
cml_dna_20010511111932_a_196
1
1
cml_dna_20010511111932_a_195
cml_dna_20010511111932_a_197
1
cml_dna_20010511111932_a_196
cml_dna_20010511111932_a_368
1
cml_dna_20010511111932_a_196
cml_dna_20010511111932_a_369
1
1
cml_dna_20010511111932_a_197
cml_dna_20010511111932_a_198
1
6
cml_dna_20010511111932_a_197
cml_dna_20010511111932_a_370
1
1
cml_dna_20010511111932_a_198
cml_dna_20010511111932_a_199
1
cml_dna_20010511111932_a_198
cml_dna_20010511111932_a_200
1
6
cml_dna_20010511111932_a_200
cml_dna_20010511111932_a_201
1
6
cml_dna_20010511111932_a_201
cml_dna_20010511111932_a_202
1
cml_dna_20010511111932_a_202
cml_dna_20010511111932_a_371
1
6
cml_dna_20010511111932_a_204
cml_dna_20010511111932_a_205
1
cml_dna_20010511111932_a_205
cml_dna_20010511111932_a_206
1
1
cml_dna_20010511111932_a_205
cml_dna_20010511111932_a_222
1
6
cml_dna_20010511111932_a_205
cml_dna_20010511111932_a_223
1
cml_dna_20010511111932_a_206
cml_dna_20010511111932_a_207
1
1
cml_dna_20010511111932_a_207
cml_dna_20010511111932_a_208
1
1
cml_dna_20010511111932_a_207
cml_dna_20010511111932_a_372
1
cml_dna_20010511111932_a_207
cml_dna_20010511111932_a_373
1
cml_dna_20010511111932_a_208
cml_dna_20010511111932_a_209
1
cml_dna_20010511111932_a_208
cml_dna_20010511111932_a_220
1
cml_dna_20010511111932_a_208
cml_dna_20010511111932_a_374
1
1
cml_dna_20010511111932_a_209
cml_dna_20010511111932_a_210
1
cml_dna_20010511111932_a_209
cml_dna_20010511111932_a_221
1
1
cml_dna_20010511111932_a_209
cml_dna_20010511111932_a_375
1
6
cml_dna_20010511111932_a_210
cml_dna_20010511111932_a_211
1
cml_dna_20010511111932_a_210
cml_dna_20010511111932_a_376
1
1
cml_dna_20010511111932_a_210
cml_dna_20010511111932_a_377
1
6
cml_dna_20010511111932_a_211
cml_dna_20010511111932_a_212
1
6
cml_dna_20010511111932_a_211
cml_dna_20010511111932_a_220
1
cml_dna_20010511111932_a_211
cml_dna_20010511111932_a_378
1
1
cml_dna_20010511111932_a_212
cml_dna_20010511111932_a_213
1
6
cml_dna_20010511111932_a_212
cml_dna_20010511111932_a_218
1
1
cml_dna_20010511111932_a_213
cml_dna_20010511111932_a_214
1
6
cml_dna_20010511111932_a_213
cml_dna_20010511111932_a_379
1
6
cml_dna_20010511111932_a_214
cml_dna_20010511111932_a_215
1
1
cml_dna_20010511111932_a_214
cml_dna_20010511111932_a_380
1
6
cml_dna_20010511111932_a_215
cml_dna_20010511111932_a_216
1
6
cml_dna_20010511111932_a_215
cml_dna_20010511111932_a_217
1
1
cml_dna_20010511111932_a_216
cml_dna_20010511111932_a_381
1
6
cml_dna_20010511111932_a_216
cml_dna_20010511111932_a_382
1
1
cml_dna_20010511111932_a_217
cml_dna_20010511111932_a_218
1
1
cml_dna_20010511111932_a_218
cml_dna_20010511111932_a_219
1
1
cml_dna_20010511111932_a_221
cml_dna_20010511111932_a_383
1
[molFile 1] A Molecule with five contiguous cyclopropane rings [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
CC(CC1CC1C)C2CC2C3CC3C4CC4C5CC5CCCCC(O)NCC6OC(C(O)C6O)N7CCC(O)NC7O
-6.7570
-1.7790
3.0700
C
-8.1360
-1.3000
3.4960
C
-8.9980
-2.5400
3.3580
C
-8.1760
-3.4580
2.4620
C
-6.8460
-3.1810
2.8820
O
-8.4800
-4.8940
2.4720
N
-9.5840
-5.3640
3.3060
C
-10.1610
-6.6910
2.7850
C
-9.0740
-7.6900
2.4510
C
-7.9310
-7.1290
1.9590
N
-7.6590
-5.7920
1.8320
C
-8.6120
-0.2920
2.6020
O
-10.2590
-2.2150
2.7710
O
-6.6940
-5.4530
1.1940
O
-9.1890
-8.8900
2.5450
O
8.5340
3.1960
-3.3540
C
8.7880
2.2080
-2.2690
C
7.7440
1.1640
-1.9050
C
7.6500
0.5640
-0.4950
C
6.6210
-0.4700
-0.0530
C
6.0860
-0.5650
1.3830
C
5.2090
-1.7190
1.8510
C
4.1170
-1.6000
2.9200
C
2.9190
-2.5310
2.9960
C
1.6570
-1.9650
3.5390
C
8.0470
-0.8840
-0.3300
C
6.6400
-1.6120
2.3220
C
0.4310
-2.3930
3.1730
C
9.4120
3.2680
-4.3720
C
8.9370
0.7870
-2.7550
C
4.0450
-2.6680
3.9900
C
9.2880
4.1260
-5.5770
C
10.4030
5.1330
-5.7820
C
10.0140
6.4670
-6.4000
C
7.3060
4.0580
-3.2170
C
10.3100
3.9190
-6.6730
C
-0.7780
-1.7940
3.7430
C
-2.0280
-2.1900
3.3970
C
-3.2000
-1.5240
4.0000
C
-4.4000
-2.0250
3.5770
N
-3.1230
-0.6000
4.8000
O
-5.6610
-1.4850
4.0890
C
-6.4750
-1.3270
2.0880
H
-8.1630
-0.8790
4.5260
H
-9.1610
-2.9840
4.3660
H
-8.2710
-3.1000
1.4070
H
-10.4250
-4.6350
3.3350
H
-9.2040
-5.5080
4.3450
H
-10.7320
-6.5060
1.8430
H
-10.8670
-7.1310
3.5270
H
-7.2270
-7.7620
1.6150
H
-8.0900
0.4810
2.7160
H
-10.1740
-1.3670
2.3660
H
9.4050
2.5970
-1.4520
H
6.7630
1.2510
-2.3880
H
7.9430
1.2860
0.2780
H
5.8500
-0.7160
-0.7950
H
5.8450
0.4240
1.7930
H
4.9670
-2.4680
1.0860
H
3.9560
-0.5570
3.2250
H
2.8000
-3.3000
2.2260
H
1.7460
-1.1560
4.2840
H
8.7200
-1.0960
0.4980
H
8.2000
-1.4950
-1.2170
H
6.8190
-1.3060
3.3520
H
7.3230
-2.3690
1.9410
H
0.3370
-3.2020
2.4310
H
10.2930
2.6050
-4.3380
H
9.7440
0.2090
-2.3080
H
8.7250
0.5480
-3.7970
H
3.8870
-2.3400
5.0160
H
4.6980
-3.5330
3.8810
H
8.2700
4.4170
-5.8510
H
11.2100
5.1920
-5.0410
H
10.9000
6.9220
-6.9000
H
9.6600
7.1610
-5.6050
H
9.2040
6.3700
-7.1590
H
7.2880
4.9160
-3.9220
H
7.2610
4.4900
-2.1920
H
6.3860
3.4570
-3.3850
H
9.9760
4.0550
-7.7000
H
11.0740
3.1540
-6.5470
H
-0.6550
-0.9840
4.4810
H
-2.1730
-3.0000
2.6620
H
-4.4240
-2.8320
2.9700
H
-5.8910
-1.9660
5.0680
H
-5.5920
-0.3820
4.2340
H
cml_barrett_20010511111932_a_ 1
cml_barrett_20010511111932_a_ 2
1
cml_barrett_20010511111932_a_ 1
cml_barrett_20010511111932_a_ 5
1
cml_barrett_20010511111932_a_ 1
cml_barrett_20010511111932_a_42
1
cml_barrett_20010511111932_a_ 1
cml_barrett_20010511111932_a_43
1
cml_barrett_20010511111932_a_ 2
cml_barrett_20010511111932_a_ 3
1
cml_barrett_20010511111932_a_ 2
cml_barrett_20010511111932_a_12
1
cml_barrett_20010511111932_a_ 2
cml_barrett_20010511111932_a_44
1
cml_barrett_20010511111932_a_ 3
cml_barrett_20010511111932_a_ 4
1
cml_barrett_20010511111932_a_ 3
cml_barrett_20010511111932_a_13
1
cml_barrett_20010511111932_a_ 3
cml_barrett_20010511111932_a_45
1
cml_barrett_20010511111932_a_ 4
cml_barrett_20010511111932_a_ 5
1
cml_barrett_20010511111932_a_ 4
cml_barrett_20010511111932_a_ 6
1
cml_barrett_20010511111932_a_ 4
cml_barrett_20010511111932_a_46
1
cml_barrett_20010511111932_a_ 6
cml_barrett_20010511111932_a_ 7
1
cml_barrett_20010511111932_a_ 6
cml_barrett_20010511111932_a_11
1
cml_barrett_20010511111932_a_ 7
cml_barrett_20010511111932_a_ 8
1
cml_barrett_20010511111932_a_ 7
cml_barrett_20010511111932_a_47
1
cml_barrett_20010511111932_a_ 7
cml_barrett_20010511111932_a_48
1
cml_barrett_20010511111932_a_ 8
cml_barrett_20010511111932_a_ 9
1
cml_barrett_20010511111932_a_ 8
cml_barrett_20010511111932_a_49
1
cml_barrett_20010511111932_a_ 8
cml_barrett_20010511111932_a_50
1
cml_barrett_20010511111932_a_ 9
cml_barrett_20010511111932_a_10
1
cml_barrett_20010511111932_a_ 9
cml_barrett_20010511111932_a_15
1
cml_barrett_20010511111932_a_10
cml_barrett_20010511111932_a_11
1
cml_barrett_20010511111932_a_10
cml_barrett_20010511111932_a_51
1
cml_barrett_20010511111932_a_11
cml_barrett_20010511111932_a_14
1
cml_barrett_20010511111932_a_12
cml_barrett_20010511111932_a_52
1
cml_barrett_20010511111932_a_13
cml_barrett_20010511111932_a_53
1
cml_barrett_20010511111932_a_16
cml_barrett_20010511111932_a_17
1
cml_barrett_20010511111932_a_16
cml_barrett_20010511111932_a_29
1
cml_barrett_20010511111932_a_16
cml_barrett_20010511111932_a_35
1
cml_barrett_20010511111932_a_17
cml_barrett_20010511111932_a_18
1
cml_barrett_20010511111932_a_17
cml_barrett_20010511111932_a_30
1
cml_barrett_20010511111932_a_17
cml_barrett_20010511111932_a_54
1
cml_barrett_20010511111932_a_18
cml_barrett_20010511111932_a_19
1
cml_barrett_20010511111932_a_18
cml_barrett_20010511111932_a_30
1
cml_barrett_20010511111932_a_18
cml_barrett_20010511111932_a_55
1
cml_barrett_20010511111932_a_19
cml_barrett_20010511111932_a_20
1
cml_barrett_20010511111932_a_19
cml_barrett_20010511111932_a_26
1
cml_barrett_20010511111932_a_19
cml_barrett_20010511111932_a_56
1
cml_barrett_20010511111932_a_20
cml_barrett_20010511111932_a_21
1
cml_barrett_20010511111932_a_20
cml_barrett_20010511111932_a_26
1
cml_barrett_20010511111932_a_20
cml_barrett_20010511111932_a_57
1
cml_barrett_20010511111932_a_21
cml_barrett_20010511111932_a_22
1
cml_barrett_20010511111932_a_21
cml_barrett_20010511111932_a_27
1
cml_barrett_20010511111932_a_21
cml_barrett_20010511111932_a_58
1
cml_barrett_20010511111932_a_22
cml_barrett_20010511111932_a_23
1
cml_barrett_20010511111932_a_22
cml_barrett_20010511111932_a_27
1
cml_barrett_20010511111932_a_22
cml_barrett_20010511111932_a_59
1
cml_barrett_20010511111932_a_23
cml_barrett_20010511111932_a_24
1
cml_barrett_20010511111932_a_23
cml_barrett_20010511111932_a_31
1
cml_barrett_20010511111932_a_23
cml_barrett_20010511111932_a_60
1
cml_barrett_20010511111932_a_24
cml_barrett_20010511111932_a_25
1
cml_barrett_20010511111932_a_24
cml_barrett_20010511111932_a_31
1
cml_barrett_20010511111932_a_24
cml_barrett_20010511111932_a_61
1
cml_barrett_20010511111932_a_25
cml_barrett_20010511111932_a_28
1
cml_barrett_20010511111932_a_25
cml_barrett_20010511111932_a_62
1
cml_barrett_20010511111932_a_26
cml_barrett_20010511111932_a_63
1
cml_barrett_20010511111932_a_26
cml_barrett_20010511111932_a_64
1
cml_barrett_20010511111932_a_27
cml_barrett_20010511111932_a_65
1
cml_barrett_20010511111932_a_27
cml_barrett_20010511111932_a_66
1
cml_barrett_20010511111932_a_28
cml_barrett_20010511111932_a_37
1
cml_barrett_20010511111932_a_28
cml_barrett_20010511111932_a_67
1
cml_barrett_20010511111932_a_29
cml_barrett_20010511111932_a_32
1
cml_barrett_20010511111932_a_29
cml_barrett_20010511111932_a_68
1
cml_barrett_20010511111932_a_30
cml_barrett_20010511111932_a_69
1
cml_barrett_20010511111932_a_30
cml_barrett_20010511111932_a_70
1
cml_barrett_20010511111932_a_31
cml_barrett_20010511111932_a_71
1
cml_barrett_20010511111932_a_31
cml_barrett_20010511111932_a_72
1
cml_barrett_20010511111932_a_32
cml_barrett_20010511111932_a_33
1
cml_barrett_20010511111932_a_32
cml_barrett_20010511111932_a_36
1
cml_barrett_20010511111932_a_32
cml_barrett_20010511111932_a_73
1
cml_barrett_20010511111932_a_33
cml_barrett_20010511111932_a_34
1
cml_barrett_20010511111932_a_33
cml_barrett_20010511111932_a_36
1
cml_barrett_20010511111932_a_33
cml_barrett_20010511111932_a_74
1
cml_barrett_20010511111932_a_34
cml_barrett_20010511111932_a_75
1
cml_barrett_20010511111932_a_34
cml_barrett_20010511111932_a_76
1
cml_barrett_20010511111932_a_34
cml_barrett_20010511111932_a_77
1
cml_barrett_20010511111932_a_35
cml_barrett_20010511111932_a_78
1
cml_barrett_20010511111932_a_35
cml_barrett_20010511111932_a_79
1
cml_barrett_20010511111932_a_35
cml_barrett_20010511111932_a_80
1
cml_barrett_20010511111932_a_36
cml_barrett_20010511111932_a_81
1
cml_barrett_20010511111932_a_36
cml_barrett_20010511111932_a_82
1
cml_barrett_20010511111932_a_37
cml_barrett_20010511111932_a_38
1
cml_barrett_20010511111932_a_37
cml_barrett_20010511111932_a_83
1
cml_barrett_20010511111932_a_38
cml_barrett_20010511111932_a_39
1
cml_barrett_20010511111932_a_38
cml_barrett_20010511111932_a_84
1
cml_barrett_20010511111932_a_39
cml_barrett_20010511111932_a_40
1
cml_barrett_20010511111932_a_39
cml_barrett_20010511111932_a_41
1
cml_barrett_20010511111932_a_40
cml_barrett_20010511111932_a_42
1
cml_barrett_20010511111932_a_40
cml_barrett_20010511111932_a_85
1
cml_barrett_20010511111932_a_42
cml_barrett_20010511111932_a_86
1
cml_barrett_20010511111932_a_42
cml_barrett_20010511111932_a_87
1
[molFile 1] A Route to the stereospecific synthesis of the hormone vitamin D3 [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
CC(C)CCCC(C)C1CCC2C(CCCC12C)S(O)(O)C3CCCCC3
4.8480
2.7480
-0.4470
C
5.9810
1.7030
-0.3580
C
7.3140
2.3200
-0.8160
C
5.6970
0.4290
-1.1750
C
3.4910
2.1860
0.0070
C
-3.4270
0.7450
-0.5420
C
-3.5820
-0.4650
0.3940
C
-2.3110
-1.3360
0.4140
C
-1.0910
-0.5280
-0.0570
C
-1.0490
0.9280
0.4740
C
-2.2710
1.6730
-0.1150
C
0.2840
-1.0880
0.3130
C
1.2110
0.1210
0.1160
C
0.3450
1.3980
-0.0510
C
0.9740
2.6940
0.5340
C
2.3080
3.1550
-0.1130
C
0.0110
3.8970
0.4300
C
-1.0670
0.9790
2.0200
C
-3.7960
-3.8790
0.0770
C
-5.1560
-3.6800
-0.1880
C
-6.1290
-4.4040
0.5080
C
-5.7460
-5.3570
1.4550
C
-4.3910
-5.5750
1.7080
C
-3.4240
-4.8350
1.0260
C
-2.5390
-2.7750
-0.6570
S
-3.0000
-2.3110
-1.9530
O
-1.2940
-3.5220
-0.6840
O
4.7610
3.1120
-1.4970
H
5.1090
3.6280
0.1860
H
6.0970
1.4000
0.7140
H
8.1540
1.5950
-0.7040
H
7.5710
3.2200
-0.2130
H
7.2680
2.6230
-1.8880
H
6.5830
-0.2460
-1.1970
H
5.4300
0.6760
-2.2280
H
4.8690
-0.1740
-0.7390
H
3.5840
1.8220
1.0580
H
3.2810
1.3240
-0.6600
H
-4.3810
1.3270
-0.5780
H
-3.2640
0.3770
-1.5840
H
-4.5000
-1.0390
0.1360
H
-3.7840
-0.0720
1.4170
H
-2.1420
-1.7380
1.4390
H
-1.1100
-0.4540
-1.1760
H
-2.6660
2.4000
0.6320
H
-1.9720
2.2690
-1.0080
H
0.5900
-1.9500
-0.3200
H
0.2940
-1.4390
1.3700
H
1.8090
-0.0670
-0.8060
H
1.8930
0.1930
0.9940
H
0.2350
1.5780
-1.1510
H
1.1850
2.5180
1.6170
H
2.1400
3.3840
-1.1910
H
2.6310
4.1080
0.3700
H
0.4700
4.8290
0.8330
H
-0.9200
3.7510
1.0170
H
-0.2720
4.0930
-0.6290
H
-1.0970
2.0190
2.4100
H
-0.1730
0.5080
2.4810
H
-1.9470
0.4720
2.4640
H
-5.4800
-2.9480
-0.9410
H
-7.1960
-4.2270
0.3070
H
-6.5120
-5.9330
1.9970
H
-4.0870
-6.3290
2.4530
H
-2.3610
-5.0210
1.2500
H
cml_craig_20010511111932_a_ 1
cml_craig_20010511111932_a_ 2
1
cml_craig_20010511111932_a_ 1
cml_craig_20010511111932_a_ 5
1
cml_craig_20010511111932_a_ 1
cml_craig_20010511111932_a_28
1
cml_craig_20010511111932_a_ 1
cml_craig_20010511111932_a_29
1
cml_craig_20010511111932_a_ 2
cml_craig_20010511111932_a_ 3
1
cml_craig_20010511111932_a_ 2
cml_craig_20010511111932_a_ 4
1
cml_craig_20010511111932_a_ 2
cml_craig_20010511111932_a_30
1
cml_craig_20010511111932_a_ 3
cml_craig_20010511111932_a_31
1
cml_craig_20010511111932_a_ 3
cml_craig_20010511111932_a_32
1
cml_craig_20010511111932_a_ 3
cml_craig_20010511111932_a_33
1
cml_craig_20010511111932_a_ 4
cml_craig_20010511111932_a_34
1
cml_craig_20010511111932_a_ 4
cml_craig_20010511111932_a_35
1
cml_craig_20010511111932_a_ 4
cml_craig_20010511111932_a_36
1
cml_craig_20010511111932_a_ 5
cml_craig_20010511111932_a_16
1
cml_craig_20010511111932_a_ 5
cml_craig_20010511111932_a_37
1
cml_craig_20010511111932_a_ 5
cml_craig_20010511111932_a_38
1
cml_craig_20010511111932_a_ 6
cml_craig_20010511111932_a_ 7
1
cml_craig_20010511111932_a_ 6
cml_craig_20010511111932_a_11
1
cml_craig_20010511111932_a_ 6
cml_craig_20010511111932_a_39
1
cml_craig_20010511111932_a_ 6
cml_craig_20010511111932_a_40
1
cml_craig_20010511111932_a_ 7
cml_craig_20010511111932_a_ 8
1
cml_craig_20010511111932_a_ 7
cml_craig_20010511111932_a_41
1
cml_craig_20010511111932_a_ 7
cml_craig_20010511111932_a_42
1
cml_craig_20010511111932_a_ 8
cml_craig_20010511111932_a_ 9
1
cml_craig_20010511111932_a_ 8
cml_craig_20010511111932_a_25
1
cml_craig_20010511111932_a_ 8
cml_craig_20010511111932_a_43
1
cml_craig_20010511111932_a_ 9
cml_craig_20010511111932_a_10
1
cml_craig_20010511111932_a_ 9
cml_craig_20010511111932_a_12
1
cml_craig_20010511111932_a_ 9
cml_craig_20010511111932_a_44
1
cml_craig_20010511111932_a_10
cml_craig_20010511111932_a_11
1
cml_craig_20010511111932_a_10
cml_craig_20010511111932_a_14
1
cml_craig_20010511111932_a_10
cml_craig_20010511111932_a_18
1
cml_craig_20010511111932_a_11
cml_craig_20010511111932_a_45
1
cml_craig_20010511111932_a_11
cml_craig_20010511111932_a_46
1
cml_craig_20010511111932_a_12
cml_craig_20010511111932_a_13
1
cml_craig_20010511111932_a_12
cml_craig_20010511111932_a_47
1
cml_craig_20010511111932_a_12
cml_craig_20010511111932_a_48
1
cml_craig_20010511111932_a_13
cml_craig_20010511111932_a_14
1
cml_craig_20010511111932_a_13
cml_craig_20010511111932_a_49
1
cml_craig_20010511111932_a_13
cml_craig_20010511111932_a_50
1
cml_craig_20010511111932_a_14
cml_craig_20010511111932_a_15
1
cml_craig_20010511111932_a_14
cml_craig_20010511111932_a_51
1
cml_craig_20010511111932_a_15
cml_craig_20010511111932_a_16
1
cml_craig_20010511111932_a_15
cml_craig_20010511111932_a_17
1
cml_craig_20010511111932_a_15
cml_craig_20010511111932_a_52
1
cml_craig_20010511111932_a_16
cml_craig_20010511111932_a_53
1
cml_craig_20010511111932_a_16
cml_craig_20010511111932_a_54
1
cml_craig_20010511111932_a_17
cml_craig_20010511111932_a_55
1
cml_craig_20010511111932_a_17
cml_craig_20010511111932_a_56
1
cml_craig_20010511111932_a_17
cml_craig_20010511111932_a_57
1
cml_craig_20010511111932_a_18
cml_craig_20010511111932_a_58
1
cml_craig_20010511111932_a_18
cml_craig_20010511111932_a_59
1
cml_craig_20010511111932_a_18
cml_craig_20010511111932_a_60
1
cml_craig_20010511111932_a_19
cml_craig_20010511111932_a_20
1
cml_craig_20010511111932_a_19
cml_craig_20010511111932_a_24
1
cml_craig_20010511111932_a_19
cml_craig_20010511111932_a_25
1
cml_craig_20010511111932_a_20
cml_craig_20010511111932_a_21
1
cml_craig_20010511111932_a_20
cml_craig_20010511111932_a_61
1
cml_craig_20010511111932_a_21
cml_craig_20010511111932_a_22
1
cml_craig_20010511111932_a_21
cml_craig_20010511111932_a_62
1
cml_craig_20010511111932_a_22
cml_craig_20010511111932_a_23
1
cml_craig_20010511111932_a_22
cml_craig_20010511111932_a_63
1
cml_craig_20010511111932_a_23
cml_craig_20010511111932_a_24
1
cml_craig_20010511111932_a_23
cml_craig_20010511111932_a_64
1
cml_craig_20010511111932_a_24
cml_craig_20010511111932_a_65
1
cml_craig_20010511111932_a_25
cml_craig_20010511111932_a_26
1
cml_craig_20010511111932_a_25
cml_craig_20010511111932_a_27
1
[molFile 1] Alizarin, Sodium 9,10-dihydro-3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonate [molFile 2] [molFile 3]
converted by JChemDig
2001-05-11
Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S(=O)(=O)[O-]
-3.9194
1.8287
0.1652
C
-5.1099
1.1027
0.1148
C
-5.0653
-0.2850
-0.0113
C
-3.8317
-0.9322
-0.0894
C
-2.6320
-0.2097
-0.0429
C
-2.6778
1.1839
0.0885
C
-1.4814
1.9100
0.1384
C
-0.2430
1.2618
0.0447
C
-0.1917
-0.1313
-0.0928
C
-1.3918
-0.8558
-0.1301
C
-3.9814
2.9062
0.2643
H
-6.0644
1.6139
0.1720
H
-5.9861
-0.8561
-0.0521
H
-3.8278
-2.0110
-0.1903
H
-1.3665
-2.0846
-0.2476
O
0.9509
1.9915
0.0867
C
2.1853
1.3495
-0.0134
C
-1.5220
3.1380
0.2648
O
2.2325
-0.0367
-0.1541
C
1.0508
-0.7742
-0.1916
C
0.9305
3.0689
0.1942
H
3.7371
2.2452
0.0272
S
3.4299
-0.6630
-0.2550
O
1.1771
-2.1133
-0.3326
O
4.4929
1.9378
-1.2739
O
4.5759
1.6866
1.1860
O
3.5036
3.9693
0.2147
O
5
4.2189
-0.0918
-0.2242
H
2.0836
-2.4562
-0.3962
H
cml_alizarin_20010511111932_a_ 1
cml_alizarin_20010511111932_a_ 2
2
cml_alizarin_20010511111932_a_ 2
cml_alizarin_20010511111932_a_ 3
1
cml_alizarin_20010511111932_a_ 3
cml_alizarin_20010511111932_a_ 4
2
cml_alizarin_20010511111932_a_ 4
cml_alizarin_20010511111932_a_ 5
1
cml_alizarin_20010511111932_a_ 5
cml_alizarin_20010511111932_a_ 6
2
cml_alizarin_20010511111932_a_ 6
cml_alizarin_20010511111932_a_ 1
1
cml_alizarin_20010511111932_a_ 6
cml_alizarin_20010511111932_a_ 7
1
cml_alizarin_20010511111932_a_ 7
cml_alizarin_20010511111932_a_ 8
1
cml_alizarin_20010511111932_a_ 8
cml_alizarin_20010511111932_a_ 9
2
cml_alizarin_20010511111932_a_ 9
cml_alizarin_20010511111932_a_10
1
cml_alizarin_20010511111932_a_10
cml_alizarin_20010511111932_a_ 5
1
cml_alizarin_20010511111932_a_ 1
cml_alizarin_20010511111932_a_11
1
cml_alizarin_20010511111932_a_ 2
cml_alizarin_20010511111932_a_12
1
cml_alizarin_20010511111932_a_ 3
cml_alizarin_20010511111932_a_13
1
cml_alizarin_20010511111932_a_ 4
cml_alizarin_20010511111932_a_14
1
cml_alizarin_20010511111932_a_10
cml_alizarin_20010511111932_a_15
2
cml_alizarin_20010511111932_a_ 8
cml_alizarin_20010511111932_a_16
1
cml_alizarin_20010511111932_a_16
cml_alizarin_20010511111932_a_17
2
cml_alizarin_20010511111932_a_ 7
cml_alizarin_20010511111932_a_18
2
cml_alizarin_20010511111932_a_17
cml_alizarin_20010511111932_a_19
1
cml_alizarin_20010511111932_a_19
cml_alizarin_20010511111932_a_20
2
cml_alizarin_20010511111932_a_ 9
cml_alizarin_20010511111932_a_20
1
cml_alizarin_20010511111932_a_16
cml_alizarin_20010511111932_a_21
1
cml_alizarin_20010511111932_a_17
cml_alizarin_20010511111932_a_22
1
cml_alizarin_20010511111932_a_19
cml_alizarin_20010511111932_a_23
1
cml_alizarin_20010511111932_a_20
cml_alizarin_20010511111932_a_24
1
cml_alizarin_20010511111932_a_25
cml_alizarin_20010511111932_a_22
2
cml_alizarin_20010511111932_a_22
cml_alizarin_20010511111932_a_26
2
cml_alizarin_20010511111932_a_22
cml_alizarin_20010511111932_a_27
1
cml_alizarin_20010511111932_a_23
cml_alizarin_20010511111932_a_28
1
cml_alizarin_20010511111932_a_24
cml_alizarin_20010511111932_a_29
1
[molFile 1] Mauveine, The First Industrial Organic Fine-Chemical, Henry Rzepa [molFile 2] ChemDraw06099812252D [molFile 3]
converted by JChemDig
2001-05-11
Cc1ccc(Nc2ccc3nc4cc(C)c(N)cc4[n+](c5ccccc5)c3c2)cc1
-3.9271
4.2188
0.0000
C
-5.2656
3.6302
0.0000
C
-5.3750
2.1354
0.0000
C
-4.1406
1.2240
0.0000
C
-2.7500
1.8698
0.0000
C
-2.6458
3.3646
0.0000
C
-1.5208
1.0104
0.0000
N
3
-0.1875
1.7083
0.0000
C
-0.1875
3.2604
0.0000
C
-1.3646
4.0052
0.0000
N
1.2031
0.9063
0.0000
C
2.4896
1.5990
0.0000
C
2.4896
3.1510
0.0000
C
1.2031
3.9531
0.0000
C
-1.5781
-0.5938
0.0000
C
3.8229
0.9583
0.0000
N
4.4115
-0.4323
0.0000
C
-2.2708
-1.4479
0.0000
C
-2.3229
-2.8906
0.0000
C
-1.8438
-3.6406
0.0000
C
-1.1458
-2.8385
0.0000
C
-1.0417
-1.3385
0.0000
C
3.6667
-1.7708
0.0000
C
4.3594
-3.0521
0.0000
C
5.8594
-3.1042
0.0000
C
6.6042
-1.8229
0.0000
C
5.9115
-0.5365
0.0000
C
-6.5469
4.5417
0.0000
C
-6.6563
1.4375
0.0000
N
6.6615
-4.5469
0.0000
C
4.6823
1.7083
0.0000
H
cml_mauveine_20010511111932_a_ 1
cml_mauveine_20010511111932_a_ 2
1
cml_mauveine_20010511111932_a_ 1
cml_mauveine_20010511111932_a_ 6
2
cml_mauveine_20010511111932_a_ 2
cml_mauveine_20010511111932_a_ 3
2
cml_mauveine_20010511111932_a_ 2
cml_mauveine_20010511111932_a_28
1
cml_mauveine_20010511111932_a_ 3
cml_mauveine_20010511111932_a_ 4
1
cml_mauveine_20010511111932_a_ 3
cml_mauveine_20010511111932_a_29
1
cml_mauveine_20010511111932_a_ 4
cml_mauveine_20010511111932_a_ 5
2
cml_mauveine_20010511111932_a_ 5
cml_mauveine_20010511111932_a_ 6
1
cml_mauveine_20010511111932_a_ 6
cml_mauveine_20010511111932_a_10
1
cml_mauveine_20010511111932_a_ 8
cml_mauveine_20010511111932_a_ 9
1
cml_mauveine_20010511111932_a_ 8
cml_mauveine_20010511111932_a_11
1
cml_mauveine_20010511111932_a_ 9
cml_mauveine_20010511111932_a_10
2
cml_mauveine_20010511111932_a_ 9
cml_mauveine_20010511111932_a_14
1
cml_mauveine_20010511111932_a_11
cml_mauveine_20010511111932_a_12
2
cml_mauveine_20010511111932_a_12
cml_mauveine_20010511111932_a_13
1
cml_mauveine_20010511111932_a_12
cml_mauveine_20010511111932_a_16
1
cml_mauveine_20010511111932_a_13
cml_mauveine_20010511111932_a_14
2
cml_mauveine_20010511111932_a_15
cml_mauveine_20010511111932_a_18
2
cml_mauveine_20010511111932_a_22
cml_mauveine_20010511111932_a_15
1
cml_mauveine_20010511111932_a_16
cml_mauveine_20010511111932_a_17
1
cml_mauveine_20010511111932_a_16
cml_mauveine_20010511111932_a_31
1
cml_mauveine_20010511111932_a_17
cml_mauveine_20010511111932_a_23
2
cml_mauveine_20010511111932_a_17
cml_mauveine_20010511111932_a_27
1
cml_mauveine_20010511111932_a_18
cml_mauveine_20010511111932_a_19
1
cml_mauveine_20010511111932_a_19
cml_mauveine_20010511111932_a_20
2
cml_mauveine_20010511111932_a_21
cml_mauveine_20010511111932_a_20
1
cml_mauveine_20010511111932_a_21
cml_mauveine_20010511111932_a_22
2
cml_mauveine_20010511111932_a_23
cml_mauveine_20010511111932_a_24
1
cml_mauveine_20010511111932_a_24
cml_mauveine_20010511111932_a_25
2
cml_mauveine_20010511111932_a_25
cml_mauveine_20010511111932_a_26
1
cml_mauveine_20010511111932_a_25
cml_mauveine_20010511111932_a_30
1
cml_mauveine_20010511111932_a_26
cml_mauveine_20010511111932_a_27
2
cml_mauveine_20010511111932_a_ 5
cml_mauveine_20010511111932_a_ 7
1
cml_mauveine_20010511111932_a_ 7
cml_mauveine_20010511111932_a_ 8
2
cml_mauveine_20010511111932_a_ 7
cml_mauveine_20010511111932_a_15
1