[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 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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 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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 cml_viagra_20010511111930_a_49 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 1 cml_viagra_20010511111930_a_31 cml_viagra_20010511111930_a_58 1 cml_viagra_20010511111930_a_32 cml_viagra_20010511111930_a_33 1 cml_viagra_20010511111930_a_32 cml_viagra_20010511111930_a_59 1 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 1 cml_c70a_20010511111931_a_38 cml_c70a_20010511111931_a_49 1 cml_c70a_20010511111931_a_39 cml_c70a_20010511111931_a_40 1 cml_c70a_20010511111931_a_39 cml_c70a_20010511111931_a_42 1 cml_c70a_20010511111931_a_40 cml_c70a_20010511111931_a_47 1 cml_c70a_20010511111931_a_41 cml_c70a_20010511111931_a_42 1 cml_c70a_20010511111931_a_41 cml_c70a_20010511111931_a_56 1 cml_c70a_20010511111931_a_42 cml_c70a_20010511111931_a_57 1 cml_c70a_20010511111931_a_43 cml_c70a_20010511111931_a_44 1 cml_c70a_20010511111931_a_43 cml_c70a_20010511111931_a_54 1 cml_c70a_20010511111931_a_44 cml_c70a_20010511111931_a_55 1 cml_c70a_20010511111931_a_45 cml_c70a_20010511111931_a_46 1 cml_c70a_20010511111931_a_45 cml_c70a_20010511111931_a_53 1 cml_c70a_20010511111931_a_46 cml_c70a_20010511111931_a_52 1 cml_c70a_20010511111931_a_47 cml_c70a_20010511111931_a_48 1 cml_c70a_20010511111931_a_47 cml_c70a_20010511111931_a_58 1 cml_c70a_20010511111931_a_48 cml_c70a_20010511111931_a_60 1 cml_c70a_20010511111931_a_49 cml_c70a_20010511111931_a_50 1 cml_c70a_20010511111931_a_49 cml_c70a_20010511111931_a_59 1 cml_c70a_20010511111931_a_50 cml_c70a_20010511111931_a_51 1 cml_c70a_20010511111931_a_51 cml_c70a_20010511111931_a_52 1 cml_c70a_20010511111931_a_51 cml_c70a_20010511111931_a_63 1 cml_c70a_20010511111931_a_52 cml_c70a_20010511111931_a_64 1 cml_c70a_20010511111931_a_53 cml_c70a_20010511111931_a_54 1 cml_c70a_20010511111931_a_53 cml_c70a_20010511111931_a_64 1 cml_c70a_20010511111931_a_54 cml_c70a_20010511111931_a_65 1 cml_c70a_20010511111931_a_55 cml_c70a_20010511111931_a_56 1 cml_c70a_20010511111931_a_55 cml_c70a_20010511111931_a_65 1 cml_c70a_20010511111931_a_56 cml_c70a_20010511111931_a_61 1 cml_c70a_20010511111931_a_57 cml_c70a_20010511111931_a_58 1 cml_c70a_20010511111931_a_57 cml_c70a_20010511111931_a_61 1 cml_c70a_20010511111931_a_58 cml_c70a_20010511111931_a_62 1 cml_c70a_20010511111931_a_59 cml_c70a_20010511111931_a_60 1 cml_c70a_20010511111931_a_59 cml_c70a_20010511111931_a_63 1 cml_c70a_20010511111931_a_60 cml_c70a_20010511111931_a_62 1 cml_c70a_20010511111931_a_61 cml_c70a_20010511111931_a_68 1 cml_c70a_20010511111931_a_62 cml_c70a_20010511111931_a_70 1 cml_c70a_20010511111931_a_63 cml_c70a_20010511111931_a_69 1 cml_c70a_20010511111931_a_64 cml_c70a_20010511111931_a_66 1 cml_c70a_20010511111931_a_65 cml_c70a_20010511111931_a_67 1 cml_c70a_20010511111931_a_66 cml_c70a_20010511111931_a_67 1 cml_c70a_20010511111931_a_66 cml_c70a_20010511111931_a_69 1 cml_c70a_20010511111931_a_67 cml_c70a_20010511111931_a_68 1 cml_c70a_20010511111931_a_68 cml_c70a_20010511111931_a_70 1 cml_c70a_20010511111931_a_69 cml_c70a_20010511111931_a_70 1 [molFile 1] Helicoidal Graphite, otherwise known as helical bucky tubes [molFile 2] [molFile 3] converted by JChemDig 2001-05-11 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2.5320 0.1480 5.9560 C 1.3720 -0.4240 6.3120 C 0.2120 -0.2440 5.6680 C -0.2000 0.9880 5.3680 C -3.0400 4.0800 8.5120 C -2.6680 3.6800 9.7320 C -1.4120 3.8800 10.1680 C -0.5240 4.5720 9.4480 C 1.3000 -1.1520 7.4280 C 3.6600 -0.0960 6.6360 C 3.5040 -0.5480 7.8800 C 2.3200 -1.0160 8.2800 C -3.8560 3.7520 4.6600 C -5.0600 3.8640 4.0800 C -5.2720 3.8520 2.7480 C -3.3120 1.8960 3.3240 C -3.0680 2.7400 4.3040 C -2.9840 0.6080 3.5000 C -2.1240 0.2240 4.4320 C -1.8960 -0.9760 4.9720 C -2.9680 -1.7600 5.0960 C -3.9240 -1.9120 4.1600 C -3.8120 -1.5040 2.8880 C -3.4040 -0.2680 2.6120 C -7.5000 3.6760 3.0600 C -5.1160 -2.4080 4.5000 C -3.1400 -2.2120 6.3440 C -4.4080 -2.3960 6.7240 C -5.3840 -2.4360 5.8120 C -3.5920 4.0920 5.9280 C -1.9760 2.4320 4.9760 C -1.4120 1.2280 4.9040 C -0.8360 -1.0640 5.7880 C -0.9040 -1.7760 6.9120 C 0.1200 -1.6840 7.7760 C -2.1360 -2.1800 7.2400 C -7.2840 3.5760 4.3800 C -4.5840 -1.9640 1.9000 C -5.7720 -2.4440 2.2480 C -6.0600 -2.5160 3.5600 C -6.6920 -2.4240 1.2760 C 1.3440 5.6320 7.8240 C 1.6640 4.3480 5.6960 C 2.1800 3.3600 4.9680 C 3.8400 1.5120 4.5480 C 4.9720 1.0160 5.0400 C 6.1240 1.5280 4.5840 C 4.8440 0.3640 6.2000 C 2.9320 5.6400 9.4120 C 1.6320 5.4840 9.1080 C 0.7280 4.8320 9.8680 C 7.8400 1.4560 7.5160 C 7.4280 1.5720 8.7480 C 7.8080 2.7600 9.1720 C 8.5800 3.3000 8.2760 C 8.6520 2.4520 7.2720 C 7.0160 0.9920 6.5960 C 5.8880 0.4120 7.0280 C 5.6200 0.2600 8.3360 C 6.3680 0.9640 9.1880 C 5.8280 1.4800 10.2760 C 6.0520 2.7920 10.5160 C 6.9600 3.4880 9.8520 C 6.7840 4.7640 9.4680 C 7.6080 5.3320 8.5760 C 8.5840 4.5920 8.0360 C 9.2040 4.9680 6.9360 C 9.4560 4.0640 5.9640 C 8.9240 2.8560 6.0720 C 8.2240 2.3200 5.0720 C 7.1960 1.4960 5.3720 C 5.0520 3.4920 11.0120 C 4.1720 2.8080 11.6840 C 4.1080 1.4960 11.6680 C 4.7640 0.8520 10.7400 C 9.0920 6.2400 6.5880 C 9.7120 6.5960 5.5040 C 10.1360 5.7120 4.6320 C 9.7560 4.4640 4.7440 C 2.9560 3.2440 11.8920 C 2.2120 2.2240 12.2200 C 2.9120 1.1320 12.0200 C 9.4360 7.6960 4.8560 C 9.8600 7.5520 3.6320 C 10.2120 6.3000 3.4760 C 2.3200 0.0800 11.5120 C 2.8760 -0.4840 10.4320 C 4.0880 -0.0720 10.0400 C 0.9160 2.2360 12.1120 C 0.3240 1.0520 12.1440 C 1.0280 -0.0280 11.7520 C 2.4840 4.2480 11.1840 C 1.1600 4.2080 10.9640 C 0.3480 3.2840 11.5160 C 3.3760 4.9400 10.4560 C 4.6920 4.6600 10.4680 C 8.0440 6.9760 6.9640 C 7.6440 7.9720 6.1440 C 8.3560 8.4040 5.0960 C 7.9040 9.1760 4.0880 C 8.5120 9.2200 2.8920 C 9.4320 8.2920 2.6560 C 9.5960 7.7920 1.4480 C 9.7160 6.4640 1.3120 C 9.8800 5.6880 2.3680 C 9.2880 4.5000 2.4840 C 9.2320 3.8720 3.6640 C 8.3280 2.9120 3.8840 C 7.2600 6.4440 7.9080 C 5.5600 5.2760 9.6560 C 4.4520 -0.2240 8.7600 C -0.9920 1.0520 12.0600 C -1.5480 -0.1280 11.9480 C -0.8800 -1.1160 11.3920 C 0.3880 -1.0000 11.1280 C -2.8000 -0.2720 11.6200 C -2.9160 -1.3600 10.8880 C -1.7080 -1.7840 10.6360 C 9.2400 8.5480 0.4400 C 9.2840 8.0120 -0.7640 C 9.1120 6.6880 -0.8440 C 9.1840 5.9440 0.2320 C 8.4240 6.2320 -1.8760 C 7.3880 5.4360 -1.6320 C 7.3760 4.7960 -0.4680 C 8.4040 4.8720 0.3800 C 8.5760 9.6880 0.6400 C 0.8160 -1.4600 9.9520 C -0.1080 -1.9000 9.0680 C -1.3840 -2.1360 9.4080 C -2.3960 -2.3000 8.5400 C -3.6800 -2.1600 8.9040 C -3.9120 -1.5640 10.0760 C -4.9360 -0.7440 10.2200 C -4.6920 0.4720 10.7520 C -3.5440 0.7640 11.3360 C -1.6640 2.1160 11.6080 C -2.9400 1.9560 11.2200 C 2.0440 -1.1000 9.5800 C -0.9400 3.1640 11.1880 C 8.4040 4.2040 1.5280 C 8.0400 9.9120 1.8520 C -5.3520 1.5000 10.2520 C -6.4960 1.2120 9.7000 C -6.8640 -0.0200 9.4120 C -5.9600 -0.9640 9.4160 C -7.0680 2.0000 8.8360 C -7.9520 1.3000 8.1760 C -7.7760 0.0320 8.4840 C -5.8920 -1.7640 8.3400 C -6.8600 -1.7440 7.4120 C -7.8720 -0.8800 7.5480 C -8.6600 -0.5760 6.5360 C -9.0040 0.7120 6.3120 C -8.4080 1.6560 7.0160 C -7.8520 2.7200 6.4320 C -6.7760 3.2800 7.0240 C -6.3880 2.9720 8.2680 C -4.7200 2.6160 9.8920 C -4.6760 -2.2160 8.0160 C -3.4840 2.8240 10.3520 C -9.4920 1.0680 5.1400 C -9.9520 0.0920 4.3960 C -9.4560 -1.1200 4.5320 C -8.6560 -1.4120 5.5120 C -10.2360 0.2560 3.1400 C -9.9520 -0.8520 2.4960 C -9.3360 -1.6360 3.3400 C -7.5840 -2.1560 5.2360 C -7.3360 -2.4480 3.9440 C -8.2320 -2.2560 2.9680 C -7.9600 -2.2600 1.6560 C -10.0360 1.4080 2.5480 C -9.3600 2.3520 3.2280 C -9.1080 2.1960 4.5360 C -6.6440 -2.2280 6.1840 C -8.1560 2.9200 5.1440 C 6.2840 5.6640 -2.3640 C -3.7120 2.3720 2.1560 C -4.3680 3.4880 1.8360 C -8.6160 3.1920 2.5000 C -3.6160 3.2960 -0.3640 C -3.6000 3.6680 -1.6520 C -2.5440 3.5240 -2.4720 C -1.4800 2.7760 -2.1920 C -1.7760 1.5760 -1.6920 C -2.7400 1.1800 -0.8760 C -3.2520 2.0600 -0.0400 C -3.0920 -0.1040 -0.7360 C -3.6240 -0.5800 0.3800 C -4.3080 -1.7000 0.6160 C -5.0840 -2.1160 -0.3840 C -4.7200 -2.1360 -1.6800 C -3.4640 -1.9760 -2.1120 C -2.7320 -0.9480 -1.6800 C -2.5720 3.9160 -3.7520 C -3.7920 4.0400 -4.2760 C -4.8680 4.0800 -3.4800 C -4.7600 4.1000 -2.1440 C -5.6480 -2.2160 -2.6320 C -6.3560 -2.3040 -0.0160 C -7.2680 -2.0600 -0.9600 C -6.9040 -1.9640 -2.2440 C -4.5080 3.7320 0.5280 C -6.6880 4.0760 0.9000 C -5.6680 4.1400 0.0320 C -5.8040 4.1840 -1.3080 C 0.6920 2.0640 -2.6120 C 1.9160 2.2480 -3.1200 C 0.9480 -0.2680 -2.5080 C 0.2400 0.8320 -2.3960 C 0.3440 -1.3720 -2.9720 C -0.9720 -1.5160 -2.9840 C -1.7560 -2.3720 -3.6400 C -1.3200 -2.7040 -4.8560 C -0.0480 -3.0200 -5.1440 C 0.8800 -3.2920 -4.2200 C 1.0840 -2.4320 -3.2280 C 4.2280 2.2760 -4.4120 C 3.1040 2.7320 -4.9760 C 1.9840 2.9160 -4.2640 C 0.3840 -2.9720 -6.4040 C -2.2160 -2.4600 -5.8160 C -1.7040 -2.1080 -6.9960 C -0.4080 -2.3160 -7.2600 C 2.4520 -3.8720 -5.7360 C 1.6720 -3.2520 -6.6400 C -0.3360 2.8680 -2.8840 C -1.0200 0.5760 -2.0840 C -1.5720 -0.6280 -2.2200 C -3.0560 -2.3480 -3.3240 C -3.9840 -2.4120 -4.2720 C -5.2600 -2.1960 -3.9120 C -3.5160 -2.2800 -5.5200 C -1.4720 3.8760 -4.5240 C -0.2760 3.5240 -4.0360 C 0.8440 3.4080 -4.7720 C -6.1920 -0.4520 -6.6720 C -5.5080 0.3320 -7.4560 C -5.8960 1.5640 -7.2000 C -6.9120 1.5160 -6.3880 C -7.1440 0.2520 -6.1120 C -5.5800 -1.4160 -6.0120 C -4.3280 -1.6960 -6.4000 C -3.7240 -1.0720 -7.4280 C -4.3120 0.0400 -7.8720 C -3.5840 1.0640 -8.2800 C -3.8880 2.2840 -7.7800 C -5.0000 2.5080 -7.1040 C -5.0640 3.3240 -6.0400 C -6.1320 3.3080 -5.2240 C -7.1160 2.4320 -5.4680 C -8.0160 2.1320 -4.5560 C -8.4040 0.8480 -4.3800 C -7.7400 -0.1000 -5.0160 C -7.2520 -1.1560 -4.3600 C -6.1040 -1.7040 -4.8160 C -2.8880 3.1080 -7.5240 C -1.8000 2.8960 -8.2080 C -1.5920 1.8000 -8.9040 C -2.3760 0.7680 -8.7200 C -8.1280 2.9680 -3.5400 C -9.0360 2.6760 -2.6560 C -9.5560 1.4720 -2.5800 C -9.0320 0.4920 -3.2760 C -0.6320 3.3320 -7.8200 C 0.2880 2.6440 -8.4480 C -0.3080 1.6520 -9.0720 C -9.0520 3.1960 -1.4560 C -9.7600 2.4120 -0.6880 C -9.9840 1.3080 -1.3640 C 0.2640 0.4720 -9.1080 C -0.4720 -0.5880 -8.7480 C -1.7880 -0.4240 -8.5320 C 1.5120 2.5440 -8.0280 C 2.2280 1.5560 -8.5400 C 1.5760 0.4680 -9.0120 C -0.4600 3.7400 -6.5840 C 0.7720 3.5440 -6.0920 C 1.7960 3.0640 -6.8320 C -1.5720 3.9240 -5.8520 C -2.8080 3.7440 -6.3520 C -7.1120 3.7360 -3.1480 C -7.0200 4.0520 -1.8360 C -8.0160 3.8400 -0.9640 C -7.8920 3.8560 0.3760 C -9.6760 2.4520 0.6080 C -10.0960 1.3680 1.2320 C -10.0680 0.2000 0.5520 C -9.8640 0.1560 -0.7520 C -9.1200 -0.7840 -1.3520 C -8.7200 -0.6320 -2.6240 C -7.6960 -1.3440 -3.1160 C -6.0720 3.8200 -3.9880 C -3.9000 3.8080 -5.5880 C -2.4400 -1.2760 -7.7360 C 3.4760 1.4560 -8.1240 C 4.1200 0.3880 -8.5240 C 3.4600 -0.7080 -8.8200 C 2.1600 -0.7160 -8.8960 C 5.2600 0.0280 -8.0080 C 4.1520 -1.7280 -8.3760 C -9.7280 -0.8880 1.2160 C 1.5160 -1.7560 -8.3720 C 2.2440 -2.6680 -7.6920 C 3.9000 2.0640 -7.0120 C 5.0560 1.6640 -6.4520 C 0.1920 -1.6280 -8.2280 C 2.9800 2.7320 -6.3040 C -3.4400 1.5520 1.1600 C -3.4560 0.2400 1.3960 C -8.7800 -1.7000 0.7440 C -8.4520 -1.6120 -0.5400 C -6.5000 3.9720 2.2280 C -6.0920 3.8680 4.9200 C -8.7960 3.2760 1.1800 C -5.8440 3.8200 6.2400 C -4.6240 4.0640 6.7640 C -4.2920 3.8880 8.0520 C -5.1920 3.2600 8.8080 C 5.3200 -1.2880 -8.0000 C 9.0440 8.7920 -1.8000 C 8.8600 8.1960 -2.9520 C 8.4120 6.9640 -2.9480 C 7.4560 6.9200 -3.8400 C 6.2960 6.4040 -3.4840 C 8.2160 10.4040 -0.4120 C 8.5680 10.0240 -1.6480 C 4.1160 6.2760 -2.1240 C 3.2440 6.6360 -1.1840 C 1.9800 8.3920 -0.3800 C 2.4120 7.6520 -1.4040 C 6.6280 11.4600 0.9120 C 7.3640 11.4040 -0.2280 C 8.3360 8.8200 -3.9680 C 7.5120 8.0000 -4.5800 C 8.1120 10.6840 -2.7200 C 8.0440 10.0960 -3.9160 C 6.5040 8.4840 -5.2520 C 5.3160 7.9520 -4.9760 C 5.2240 7.0040 -4.0160 C 4.1120 6.9600 -3.2840 C 1.1880 9.4280 -0.6320 C 7.0920 12.1600 -1.3000 C 7.4360 11.8080 -2.5480 C 6.3080 13.2120 -1.1560 C 7.2920 10.5760 -4.8960 C 6.5840 9.7440 -5.6640 C 6.9160 12.4280 -3.6120 C 6.8720 11.8280 -4.8080 C 5.9200 13.9400 -2.2040 C 6.2320 13.5520 -3.4440 C 3.1240 7.8080 -3.5840 C 2.2480 8.1320 -2.6360 C 4.2760 8.6720 -5.3760 C 3.1400 8.5720 -4.6880 C 1.3520 9.0880 -2.8600 C 0.7040 9.6400 -1.8440 C 2.1640 9.4440 -4.9520 C 1.2200 9.6680 -4.0480 C 5.6040 10.2760 -6.3680 C 4.4120 9.7120 -6.2160 C 3.3720 10.4360 -6.6120 C 2.2200 10.2840 -5.9840 C -0.1840 10.6160 -2.0240 C 5.6640 11.5400 -6.7640 C 4.6760 12.1160 -7.4280 C 3.5040 11.4960 -7.4040 C 6.1760 12.3400 -5.8200 C 5.6640 14.1480 -4.4920 C 5.6280 13.5440 -5.6800 C 0.3000 10.6080 -4.2440 C -0.4320 11.0720 -3.2440 C 1.2440 11.1560 -6.2320 C 0.2240 11.2600 -5.3920 C -0.7520 12.1440 -5.6040 C 2.4920 12.2560 -7.7960 C 1.3240 12.0480 -7.2160 C 0.3440 12.9120 -7.4640 C -0.7160 12.9400 -6.6680 C 2.9040 10.3320 1.5840 C 4.0560 10.8920 1.9880 C 5.5800 12.3040 0.8560 C 4.3760 12.0440 1.3920 C 1.9960 11.0280 0.9200 C 1.1440 10.6000 -0.0040 C 5.5840 13.3040 -0.0440 C 3.3560 12.8320 1.0360 C 2.1520 12.3320 0.7960 C 4.6240 14.2080 -0.1960 C 3.4640 13.9800 0.3920 C cml_spirala_20010511111931_a_ 1 cml_spirala_20010511111931_a_ 2 1 cml_spirala_20010511111931_a_ 1 cml_spirala_20010511111931_a_ 4 1 cml_spirala_20010511111931_a_ 1 cml_spirala_20010511111931_a_646 1 cml_spirala_20010511111931_a_ 2 cml_spirala_20010511111931_a_ 3 1 cml_spirala_20010511111931_a_ 2 cml_spirala_20010511111931_a_27 1 cml_spirala_20010511111931_a_ 3 cml_spirala_20010511111931_a_28 1 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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 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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_ 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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