@MOLECULE (3beta,11s,13beta,19alpha)-1,2-didehydrocrinan-3,11-diol 38 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1964 1.1780 2.3267 O.3 1 UNL1111111111 -0.5354 2 O 3.5861 -2.0426 -1.5834 O.3 1 UNL1111111111 -0.5469 3 O -3.6621 -1.6229 0.5683 O.3 1 UNL1111111111 -0.3358 4 O -4.3573 0.1508 -0.8248 O.3 1 UNL1111111111 -0.3395 5 N 1.5922 1.8731 -0.7232 N.3 1 UNL1111111111 -0.3914 6 C 1.0961 -0.1016 0.5259 C.3 1 UNL1111111111 -0.0388 7 C 1.9035 0.4121 -0.7191 C.3 1 UNL1111111111 0.0329 8 C 1.3754 1.0259 1.5756 C.3 1 UNL1111111111 0.1186 9 C 1.6711 2.2846 0.7086 C.3 1 UNL1111111111 -0.1891 10 C -0.3628 -0.0389 0.1376 C.ar 1 UNL1111111111 -0.0011 11 C 3.4038 0.1523 -0.5870 C.3 1 UNL1111111111 -0.3562 12 C 0.2050 2.0237 -1.2345 C.3 1 UNL1111111111 -0.1254 13 C 1.5817 -1.4150 1.0271 C.2 1 UNL1111111111 -0.1348 14 C -0.7785 1.0085 -0.6971 C.ar 1 UNL1111111111 -0.0505 15 C 3.6696 -1.3422 -0.3578 C.3 1 UNL1111111111 0.1564 16 C 2.7342 -1.9657 0.6395 C.2 1 UNL1111111111 -0.2299 17 C -1.2807 -0.9892 0.6231 C.ar 1 UNL1111111111 -0.1821 18 C -2.1230 1.1590 -1.0873 C.ar 1 UNL1111111111 -0.2104 19 C -2.5881 -0.8329 0.2345 C.ar 1 UNL1111111111 0.1243 20 C -3.0044 0.2254 -0.6029 C.ar 1 UNL1111111111 0.1348 21 C -4.7976 -1.0083 -0.0807 C.3 1 UNL1111111111 0.1572 22 H 1.5346 -0.0617 -1.6592 H 1 UNL1111111111 0.1497 23 H 2.2060 0.7675 2.2580 H 1 UNL1111111111 0.1205 24 H 2.6920 2.6740 0.8862 H 1 UNL1111111111 0.1470 25 H 0.9651 3.1033 0.9374 H 1 UNL1111111111 0.1537 26 H 3.8466 0.7464 0.2314 H 1 UNL1111111111 0.1539 27 H 3.9226 0.4901 -1.5081 H 1 UNL1111111111 0.1736 28 H 0.2606 1.9435 -2.3478 H 1 UNL1111111111 0.1606 29 H -0.1467 3.0582 -1.0207 H 1 UNL1111111111 0.1562 30 H 0.9415 -1.8963 1.7697 H 1 UNL1111111111 0.1613 31 H 4.7382 -1.5088 -0.0745 H 1 UNL1111111111 0.1447 32 H 3.0623 -2.9327 1.0154 H 1 UNL1111111111 0.1603 33 H -0.9797 -1.7967 1.2836 H 1 UNL1111111111 0.1789 34 H 0.3134 1.8506 3.0261 H 1 UNL1111111111 0.3117 35 H -2.4413 1.9724 -1.7307 H 1 UNL1111111111 0.1758 36 H 2.6630 -2.0762 -1.9047 H 1 UNL1111111111 0.3164 37 H -5.4847 -0.6611 0.7030 H 1 UNL1111111111 0.1396 38 H -5.2051 -1.7318 -0.7994 H 1 UNL1111111111 0.1390 @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