iso-caryophyllene.mol 37 38 0 0 0 1 V2000 -1.3813 1.0496 -1.2485 C 0 0 0 0 0 0.0419 1.6029 -1.0851 C 0 0 0 0 0 1.0766 0.5215 -0.8622 C 0 0 0 0 0 1.4740 0.0970 0.3510 C 0 0 0 0 0 0.9233 0.5547 1.6768 C 0 0 0 0 0 -1.9388 0.3627 0.0029 C 0 0 0 0 0 -1.5336 -1.1169 0.2427 C 0 0 0 0 0 -0.5515 -1.5324 1.3214 C 0 0 0 0 0 -0.2774 -2.7089 1.4173 O 0 0 0 0 0 0.0518 -0.5426 2.3076 C 0 0 0 0 0 1.6182 -0.1176 -2.1204 C 0 0 0 0 0 -3.4186 -0.1225 -0.1017 C 0 0 0 0 0 -3.0005 -1.4038 0.6582 C 0 0 0 0 0 -4.4073 0.7626 0.6649 C 0 0 0 0 0 -3.9346 -0.4438 -1.5118 C 0 0 0 0 0 -1.4083 0.3656 -2.1268 H 0 0 0 0 0 -2.0578 1.9066 -1.4857 H 0 0 0 0 0 0.0563 2.3619 -0.2730 H 0 0 0 0 0 0.3276 2.1773 -1.9978 H 0 0 0 0 0 2.2185 -0.7157 0.4094 H 0 0 0 0 0 0.3311 1.4894 1.5910 H 0 0 0 0 0 1.7746 0.8176 2.3484 H 0 0 0 0 0 -1.8108 0.9855 0.9156 H 0 0 0 0 0 -1.2786 -1.6282 -0.7141 H 0 0 0 0 0 0.6878 -1.1303 3.0130 H 0 0 0 0 0 -0.7656 -0.1036 2.9253 H 0 0 0 0 0 2.3552 -0.9248 -1.9141 H 0 0 0 0 0 2.1253 0.6445 -2.7541 H 0 0 0 0 0 0.7888 -0.5706 -2.7086 H 0 0 0 0 0 -3.1495 -1.3163 1.7581 H 0 0 0 0 0 -3.4182 -2.3520 0.2575 H 0 0 0 0 0 -4.0697 0.9713 1.7047 H 0 0 0 0 0 -5.4057 0.2738 0.7288 H 0 0 0 0 0 -4.5303 1.7408 0.1470 H 0 0 0 0 0 -3.2537 -1.1200 -2.0747 H 0 0 0 0 0 -4.0734 0.4847 -2.1096 H 0 0 0 0 0 -4.9228 -0.9541 -1.4552 H 0 0 0 0 0 1 2 1 0 0 0 1 6 1 1 0 0 1 16 1 6 0 0 1 17 1 0 0 0 2 3 1 0 0 0 2 18 1 1 0 0 2 19 1 6 0 0 3 4 2 0 0 0 3 11 1 6 0 0 4 5 1 1 0 0 4 20 1 0 0 0 5 10 1 0 0 0 5 21 1 0 0 0 5 22 1 1 0 0 6 7 1 0 0 0 6 12 1 0 0 0 6 23 1 1 0 0 7 8 1 1 0 0 7 13 1 0 0 0 7 24 1 6 0 0 8 9 2 0 0 0 8 10 1 1 0 0 10 25 1 1 0 0 10 26 1 1 0 0 11 27 1 0 0 0 11 28 1 6 0 0 11 29 1 6 0 0 12 13 1 1 0 0 12 14 1 1 0 0 12 15 1 6 0 0 13 30 1 1 0 0 13 31 1 0 0 0 14 32 1 1 0 0 14 33 1 0 0 0 14 34 1 6 0 0 15 35 1 6 0 0 15 36 1 6 0 0 15 37 1 0 0 0 M END