@MOLECULE (3alpha,11r,13beta,19alpha)-1,2-didehydrocrinan-3,11-diol 38 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3584 0.1581 2.3172 O.3 1 UNL1111111111 -0.5533 2 O 4.6858 -1.4671 -0.8871 O.3 1 UNL1111111111 -0.5573 3 O -3.8081 -1.7704 0.3187 O.3 1 UNL1111111111 -0.3342 4 O -4.6174 0.3079 -0.4509 O.3 1 UNL1111111111 -0.3385 5 N 1.3325 2.0475 -0.4173 N.3 1 UNL1111111111 -0.3940 6 C 0.9251 -0.1850 0.3223 C.3 1 UNL1111111111 -0.0743 7 C 1.6134 0.6391 -0.8233 C.3 1 UNL1111111111 0.0357 8 C 1.2630 0.6536 1.6078 C.3 1 UNL1111111111 0.1380 9 C 1.5688 2.0757 1.0542 C.3 1 UNL1111111111 -0.1902 10 C -0.5590 -0.0528 0.0889 C.ar 1 UNL1111111111 -0.0374 11 C 3.1148 0.3641 -0.9223 C.3 1 UNL1111111111 -0.3612 12 C -0.0997 2.3129 -0.7160 C.3 1 UNL1111111111 -0.1285 13 C 1.4537 -1.5681 0.4543 C.2 1 UNL1111111111 -0.1491 14 C -1.0399 1.1763 -0.3816 C.ar 1 UNL1111111111 -0.0506 15 C 3.3261 -1.1410 -1.1428 C.3 1 UNL1111111111 0.1489 16 C 2.5509 -1.9895 -0.1777 C.2 1 UNL1111111111 -0.1817 17 C -1.4308 -1.1244 0.3549 C.ar 1 UNL1111111111 -0.1876 18 C -2.4137 1.4021 -0.5958 C.ar 1 UNL1111111111 -0.2128 19 C -2.7664 -0.8942 0.1382 C.ar 1 UNL1111111111 0.1224 20 C -3.2520 0.3502 -0.3259 C.ar 1 UNL1111111111 0.1374 21 C -4.9938 -1.0288 -0.0465 C.3 1 UNL1111111111 0.1563 22 H 1.1425 0.4215 -1.8117 H 1 UNL1111111111 0.1509 23 H 0.4500 0.6333 2.3594 H 1 UNL1111111111 0.1530 24 H 0.9666 2.8540 1.5516 H 1 UNL1111111111 0.1486 25 H 2.6318 2.3433 1.2284 H 1 UNL1111111111 0.1619 26 H 3.6527 0.6951 -0.0132 H 1 UNL1111111111 0.1650 27 H 3.5530 0.9598 -1.7440 H 1 UNL1111111111 0.1583 28 H -0.1637 2.5398 -1.8083 H 1 UNL1111111111 0.1614 29 H -0.4103 3.2462 -0.1945 H 1 UNL1111111111 0.1576 30 H 0.9176 -2.2109 1.1554 H 1 UNL1111111111 0.1634 31 H 3.0902 -1.4345 -2.1948 H 1 UNL1111111111 0.1279 32 H 2.9670 -2.9878 -0.0322 H 1 UNL1111111111 0.1728 33 H -1.0713 -2.0862 0.7106 H 1 UNL1111111111 0.1835 34 H 3.0704 -0.1648 1.7213 H 1 UNL1111111111 0.3309 35 H -2.7845 2.3565 -0.9566 H 1 UNL1111111111 0.1774 36 H 5.2812 -0.9544 -1.4646 H 1 UNL1111111111 0.3156 37 H -5.6248 -0.9422 0.8489 H 1 UNL1111111111 0.1421 38 H -5.4468 -1.5263 -0.9151 H 1 UNL1111111111 0.1418 @BOND 1 1 8 1 2 1 34 1 3 2 15 1 4 2 36 1 5 3 19 1 6 3 21 1 7 4 20 1 8 4 21 1 9 5 7 1 10 5 9 1 11 5 12 1 12 6 7 1 13 6 8 1 14 6 10 1 15 6 13 1 16 7 11 1 17 7 22 1 18 8 9 1 19 8 23 1 20 9 24 1 21 9 25 1 22 10 14 ar 23 10 17 ar 24 11 15 1 25 11 26 1 26 11 27 1 27 12 14 1 28 12 28 1 29 12 29 1 30 13 16 2 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 35 1 40 19 20 ar 41 21 37 1 42 21 38 1