@MOLECULE isoplumericin 35 38 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2775 -1.6119 0.0405 O.3 1 UNL1111111111 -0.4032 2 O 1.9095 1.5357 -0.6136 O.3 1 UNL1111111111 -0.4041 3 O -0.7641 -2.2882 -0.6073 O.2 1 UNL1111111111 -0.3425 4 O 4.1207 1.6202 -0.7979 O.2 1 UNL1111111111 -0.4321 5 O -4.0293 1.0491 -0.0120 O.3 1 UNL1111111111 -0.4096 6 O -4.5248 -1.0449 0.6373 O.2 1 UNL1111111111 -0.5269 7 C -0.0259 0.0965 -1.0330 C.3 1 UNL1111111111 -0.2525 8 C 0.9076 0.7565 0.0256 C.3 1 UNL1111111111 0.2151 9 C 1.6196 -0.4225 0.7412 C.3 1 UNL1111111111 0.0698 10 C -1.4576 0.5552 -0.6336 C.3 1 UNL1111111111 -0.0606 11 C 0.2940 -1.3941 -0.9461 C.3 1 UNL1111111111 0.3073 12 C 0.0430 1.6407 0.8651 C.2 1 UNL1111111111 -0.2301 13 C -1.2408 1.5300 0.5098 C.2 1 UNL1111111111 -0.0904 14 C 3.0758 -0.1538 0.5134 C.2 1 UNL1111111111 -0.2878 15 C -2.3469 -0.5553 -0.2054 C.2 1 UNL1111111111 -0.3545 16 C 3.1772 1.0455 -0.3366 C.2 1 UNL1111111111 0.6050 17 C -1.9435 -1.8423 -0.1863 C.2 1 UNL1111111111 0.2322 18 C 4.0791 -0.9146 0.9639 C.2 1 UNL1111111111 0.0621 19 C -3.7193 -0.2619 0.1916 C.2 1 UNL1111111111 0.6260 20 C 5.5128 -0.6640 0.6966 C.3 1 UNL1111111111 -0.4814 21 C -5.3599 1.4254 0.3281 C.3 1 UNL1111111111 -0.1687 22 H 0.2178 0.4838 -2.0481 H 1 UNL1111111111 0.1856 23 H 1.3233 -0.5801 1.7942 H 1 UNL1111111111 0.1633 24 H -1.9301 1.0979 -1.4957 H 1 UNL1111111111 0.1731 25 H 0.6900 -1.8758 -1.8695 H 1 UNL1111111111 0.1583 26 H 0.4781 2.2718 1.6184 H 1 UNL1111111111 0.1725 27 H -2.0918 2.0382 0.9357 H 1 UNL1111111111 0.1693 28 H -2.5435 -2.7086 0.1174 H 1 UNL1111111111 0.1880 29 H 3.8642 -1.8047 1.5699 H 1 UNL1111111111 0.1552 30 H 6.1221 -0.7414 1.6094 H 1 UNL1111111111 0.1663 31 H 5.7115 0.3313 0.2587 H 1 UNL1111111111 0.1921 32 H 5.9132 -1.4005 -0.0212 H 1 UNL1111111111 0.1764 33 H -6.0791 0.8597 -0.2740 H 1 UNL1111111111 0.1416 34 H -5.3833 2.4929 0.0819 H 1 UNL1111111111 0.1443 35 H -5.5412 1.2539 1.3945 H 1 UNL1111111111 0.1406 @BOND 1 1 9 1 2 1 11 1 3 2 8 1 4 2 16 1 5 3 11 1 6 3 17 1 7 4 16 2 8 5 19 1 9 5 21 1 10 6 19 2 11 7 8 1 12 7 10 1 13 7 11 1 14 7 22 1 15 8 9 1 16 8 12 1 17 9 14 1 18 9 23 1 19 10 13 1 20 10 15 1 21 10 24 1 22 11 25 1 23 12 13 2 24 12 26 1 25 13 27 1 26 14 16 1 27 14 18 2 28 15 17 2 29 15 19 1 30 17 28 1 31 18 20 1 32 18 29 1 33 20 30 1 34 20 31 1 35 20 32 1 36 21 33 1 37 21 34 1 38 21 35 1