@MOLECULE (3alpha)-pancracine 38 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9990 -0.0474 1.5216 O.3 1 UNL1111111111 -0.5420 2 O -4.4605 -1.5648 -0.5229 O.3 1 UNL1111111111 -0.5729 3 O 4.2441 -1.7177 -0.1088 O.3 1 UNL1111111111 -0.3341 4 O 4.6993 0.2512 1.1095 O.3 1 UNL1111111111 -0.3353 5 N -1.0049 1.9520 -0.5741 N.3 1 UNL1111111111 -0.3824 6 C -1.6388 0.8719 0.2566 C.3 1 UNL1111111111 0.0112 7 C -0.2643 -0.1374 -1.4669 C.3 1 UNL1111111111 -0.1614 8 C -1.3503 -0.4373 -0.4668 C.2 1 UNL1111111111 0.0174 9 C -0.7404 1.2946 -1.8921 C.3 1 UNL1111111111 -0.1230 10 C -3.1526 1.0374 0.4030 C.3 1 UNL1111111111 -0.3379 11 C 0.3197 2.3017 0.0061 C.3 1 UNL1111111111 -0.1299 12 C 1.0601 0.0075 -0.7686 C.ar 1 UNL1111111111 -0.0241 13 C -3.6419 -0.1860 1.1978 C.3 1 UNL1111111111 0.1376 14 C 1.3312 1.1776 -0.0502 C.ar 1 UNL1111111111 -0.0496 15 C -2.0929 -1.5334 -0.3357 C.2 1 UNL1111111111 -0.2898 16 C -3.3915 -1.5101 0.4176 C.3 1 UNL1111111111 0.1030 17 C 1.9908 -1.0462 -0.8486 C.ar 1 UNL1111111111 -0.1973 18 C 2.5520 1.3575 0.6282 C.ar 1 UNL1111111111 -0.2135 19 C 3.1767 -0.8576 -0.1838 C.ar 1 UNL1111111111 0.1238 20 C 3.4516 0.3242 0.5436 C.ar 1 UNL1111111111 0.1357 21 C 5.2216 -1.0370 0.7105 C.3 1 UNL1111111111 0.1567 22 H -1.1780 0.8495 1.2787 H 1 UNL1111111111 0.1525 23 H -0.2252 -0.8462 -2.3126 H 1 UNL1111111111 0.1608 24 H 0.0068 1.8423 -2.4868 H 1 UNL1111111111 0.1496 25 H -1.6795 1.2608 -2.4749 H 1 UNL1111111111 0.1506 26 H -3.4098 1.9755 0.9265 H 1 UNL1111111111 0.1680 27 H -3.6537 1.0991 -0.5797 H 1 UNL1111111111 0.1674 28 H 0.1693 2.6505 1.0524 H 1 UNL1111111111 0.1576 29 H 0.7055 3.1859 -0.5555 H 1 UNL1111111111 0.1619 30 H -3.1582 -0.2359 2.2015 H 1 UNL1111111111 0.1402 31 H -1.8565 -2.4684 -0.8331 H 1 UNL1111111111 0.1598 32 H -3.5141 -2.3871 1.0923 H 1 UNL1111111111 0.1362 33 H 1.7774 -1.9545 -1.4032 H 1 UNL1111111111 0.1791 34 H 2.7660 2.2638 1.1859 H 1 UNL1111111111 0.1790 35 H -5.5638 -0.2231 0.7349 H 1 UNL1111111111 0.3367 36 H -4.2510 -2.1646 -1.2617 H 1 UNL1111111111 0.3246 37 H 6.1124 -0.8603 0.0920 H 1 UNL1111111111 0.1420 38 H 5.3710 -1.6341 1.6207 H 1 UNL1111111111 0.1422 @BOND 1 1 13 1 2 1 35 1 3 2 16 1 4 2 36 1 5 3 19 1 6 3 21 1 7 4 20 1 8 4 21 1 9 5 6 1 10 5 9 1 11 5 11 1 12 6 8 1 13 6 10 1 14 6 22 1 15 7 8 1 16 7 9 1 17 7 12 1 18 7 23 1 19 8 15 2 20 9 24 1 21 9 25 1 22 10 13 1 23 10 26 1 24 10 27 1 25 11 14 1 26 11 28 1 27 11 29 1 28 12 14 ar 29 12 17 ar 30 13 16 1 31 13 30 1 32 14 18 ar 33 15 16 1 34 15 31 1 35 16 32 1 36 17 19 ar 37 17 33 1 38 18 20 ar 39 18 34 1 40 19 20 ar 41 21 37 1 42 21 38 1