@MOLECULE 7-deacetoxy-olepupuane 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3601 -1.4477 0.8005 O.2 1 UNL1111111111 -0.3562 2 O 2.7675 0.3427 -0.5715 O.3 1 UNL1111111111 -0.4859 3 O 4.1975 1.1196 0.9819 O.2 1 UNL1111111111 -0.4971 4 C -0.7015 0.2964 0.3256 C.3 1 UNL1111111111 0.0913 5 C -1.9296 -0.2609 -0.4583 C.3 1 UNL1111111111 -0.1390 6 C -3.2882 0.4048 -0.0889 C.3 1 UNL1111111111 0.1029 7 C 0.5430 -0.3618 -0.3243 C.3 1 UNL1111111111 -0.1987 8 C -0.5733 1.8319 0.1483 C.3 1 UNL1111111111 -0.3047 9 C -2.0145 -1.7970 -0.3561 C.3 1 UNL1111111111 -0.2714 10 C -3.0730 1.8731 0.3459 C.3 1 UNL1111111111 -0.2943 11 C -1.8628 2.4852 -0.3587 C.3 1 UNL1111111111 -0.2567 12 C 0.4354 -1.8673 -0.3367 C.2 1 UNL1111111111 -0.1344 13 C -0.7616 -2.4796 -0.9398 C.3 1 UNL1111111111 -0.2528 14 C -0.7665 -0.0442 1.8184 C.3 1 UNL1111111111 -0.4655 15 C 1.8794 -0.1493 0.4223 C.3 1 UNL1111111111 0.3162 16 C -4.1848 0.3880 -1.3468 C.3 1 UNL1111111111 -0.4719 17 C -4.0443 -0.3247 1.0344 C.3 1 UNL1111111111 -0.4704 18 C 1.4996 -2.3967 0.2861 C.2 1 UNL1111111111 0.0406 19 C 3.9529 0.8810 -0.1696 C.2 1 UNL1111111111 0.6479 20 C 4.8085 1.1335 -1.3628 C.3 1 UNL1111111111 -0.5114 21 H -1.7365 -0.0116 -1.5351 H 1 UNL1111111111 0.1400 22 H 0.6436 0.0135 -1.3746 H 1 UNL1111111111 0.1740 23 H 0.2525 2.0757 -0.5465 H 1 UNL1111111111 0.1400 24 H -0.2829 2.2942 1.1111 H 1 UNL1111111111 0.1453 25 H -2.9123 -2.1583 -0.8893 H 1 UNL1111111111 0.1344 26 H -2.1363 -2.1035 0.6994 H 1 UNL1111111111 0.1462 27 H -2.9274 1.9297 1.4414 H 1 UNL1111111111 0.1426 28 H -3.9816 2.4658 0.1395 H 1 UNL1111111111 0.1327 29 H -1.8266 3.5764 -0.1819 H 1 UNL1111111111 0.1315 30 H -1.9546 2.3626 -1.4539 H 1 UNL1111111111 0.1344 31 H -0.7427 -2.3590 -2.0437 H 1 UNL1111111111 0.1481 32 H -0.8055 -3.5713 -0.7580 H 1 UNL1111111111 0.1436 33 H 0.0849 0.3641 2.3735 H 1 UNL1111111111 0.1459 34 H -1.6737 0.3630 2.2780 H 1 UNL1111111111 0.1512 35 H -0.7641 -1.1290 1.9809 H 1 UNL1111111111 0.1561 36 H 1.9065 0.4734 1.3310 H 1 UNL1111111111 0.1572 37 H -5.1849 0.7738 -1.1258 H 1 UNL1111111111 0.1440 38 H -3.7637 1.0067 -2.1456 H 1 UNL1111111111 0.1437 39 H -4.3045 -0.6262 -1.7397 H 1 UNL1111111111 0.1429 40 H -3.4085 -0.4937 1.9093 H 1 UNL1111111111 0.1487 41 H -4.9123 0.2570 1.3637 H 1 UNL1111111111 0.1431 42 H -4.4192 -1.2993 0.7060 H 1 UNL1111111111 0.1449 43 H 1.8324 -3.3903 0.4976 H 1 UNL1111111111 0.1665 44 H 4.2187 1.4352 -2.2419 H 1 UNL1111111111 0.1845 45 H 5.3563 0.2181 -1.6421 H 1 UNL1111111111 0.1872 46 H 5.5517 1.9184 -1.1556 H 1 UNL1111111111 0.1830 @BOND 1 1 15 1 2 1 18 1 3 2 15 1 4 2 19 1 5 3 19 2 6 4 5 1 7 4 7 1 8 4 8 1 9 4 14 1 10 5 6 1 11 5 9 1 12 5 21 1 13 6 10 1 14 6 16 1 15 6 17 1 16 7 12 1 17 7 15 1 18 7 22 1 19 8 11 1 20 8 23 1 21 8 24 1 22 9 13 1 23 9 25 1 24 9 26 1 25 10 11 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 12 13 1 31 12 18 2 32 13 31 1 33 13 32 1 34 14 33 1 35 14 34 1 36 14 35 1 37 15 36 1 38 16 37 1 39 16 38 1 40 16 39 1 41 17 40 1 42 17 41 1 43 17 42 1 44 18 43 1 45 19 20 1 46 20 44 1 47 20 45 1 48 20 46 1