@MOLECULE dinosterol 83 86 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.1447 -0.5253 0.0879 O.3 1 UNL1111111111 -0.5781 2 C -1.7177 0.7679 -0.2322 C.3 1 UNL1111111111 -0.1189 3 C -2.4635 -0.4561 0.3612 C.3 1 UNL1111111111 -0.1355 4 C -0.3021 0.7638 0.3439 C.3 1 UNL1111111111 -0.1441 5 C 0.4870 -0.5060 -0.0996 C.3 1 UNL1111111111 0.0717 6 C -3.9356 -0.5119 -0.1500 C.3 1 UNL1111111111 0.0665 7 C -4.6273 0.8182 0.2748 C.3 1 UNL1111111111 -0.1272 8 C 1.8911 -0.1795 0.4894 C.3 1 UNL1111111111 -0.1358 9 C -1.6961 -1.7613 0.0690 C.3 1 UNL1111111111 -0.2777 10 C -0.2277 -1.7093 0.5295 C.3 1 UNL1111111111 -0.2981 11 C -2.4475 2.0661 0.1382 C.3 1 UNL1111111111 -0.2857 12 C 0.6370 1.9210 -0.0218 C.3 1 UNL1111111111 -0.2822 13 C -3.8998 2.0220 -0.3451 C.3 1 UNL1111111111 -0.2786 14 C 2.0491 1.3496 0.2394 C.3 1 UNL1111111111 -0.2766 15 C -4.6675 -1.6754 0.5628 C.3 1 UNL1111111111 -0.2969 16 C -6.1290 0.8275 -0.0830 C.3 1 UNL1111111111 -0.1637 17 C 0.5619 -0.6709 -1.6220 C.3 1 UNL1111111111 -0.4570 18 C -3.9857 -0.7310 -1.6671 C.3 1 UNL1111111111 -0.4587 19 C 3.0838 -0.9607 -0.0943 C.3 1 UNL1111111111 -0.0922 20 C -6.1565 -1.7098 0.2252 C.3 1 UNL1111111111 -0.3002 21 C -6.8221 -0.3787 0.5870 C.3 1 UNL1111111111 0.1531 22 C -6.8067 2.1186 0.3912 C.3 1 UNL1111111111 -0.4535 23 C 3.0245 -2.4514 0.2714 C.3 1 UNL1111111111 -0.4460 24 C 4.3542 -0.3912 0.4676 C.2 1 UNL1111111111 -0.2358 25 C 5.3461 0.1396 -0.2600 C.2 1 UNL1111111111 0.0141 26 C 6.5716 0.6882 0.4317 C.3 1 UNL1111111111 -0.1171 27 C 5.3014 0.2330 -1.7498 C.3 1 UNL1111111111 -0.4489 28 C 7.8459 -0.0727 -0.0143 C.3 1 UNL1111111111 -0.0656 29 C 6.6762 2.1938 0.1487 C.3 1 UNL1111111111 -0.4438 30 C 9.0742 0.4241 0.7586 C.3 1 UNL1111111111 -0.4554 31 C 7.6713 -1.5790 0.2219 C.3 1 UNL1111111111 -0.4566 32 H -1.6784 0.6826 -1.3414 H 1 UNL1111111111 0.1415 33 H -2.4987 -0.3256 1.4705 H 1 UNL1111111111 0.1332 34 H -0.3908 0.7448 1.4604 H 1 UNL1111111111 0.1358 35 H -4.5423 0.8990 1.3870 H 1 UNL1111111111 0.1354 36 H 1.8597 -0.3631 1.5873 H 1 UNL1111111111 0.1330 37 H -1.7337 -1.9864 -1.0127 H 1 UNL1111111111 0.1413 38 H -2.1959 -2.6092 0.5735 H 1 UNL1111111111 0.1324 39 H -0.1790 -1.6504 1.6323 H 1 UNL1111111111 0.1359 40 H 0.2792 -2.6515 0.2556 H 1 UNL1111111111 0.1376 41 H -1.9251 2.9315 -0.3093 H 1 UNL1111111111 0.1357 42 H -2.4150 2.2249 1.2319 H 1 UNL1111111111 0.1370 43 H 0.4406 2.8174 0.5830 H 1 UNL1111111111 0.1312 44 H 0.5149 2.2196 -1.0744 H 1 UNL1111111111 0.1360 45 H -4.4059 2.9648 -0.0677 H 1 UNL1111111111 0.1343 46 H -3.9408 1.9707 -1.4479 H 1 UNL1111111111 0.1403 47 H 2.7128 1.5418 -0.6176 H 1 UNL1111111111 0.1381 48 H 2.5235 1.8308 1.1071 H 1 UNL1111111111 0.1335 49 H -4.5300 -1.5879 1.6567 H 1 UNL1111111111 0.1369 50 H -4.2091 -2.6407 0.2760 H 1 UNL1111111111 0.1420 51 H -6.2491 0.7389 -1.1881 H 1 UNL1111111111 0.1522 52 H 1.0732 -1.6006 -1.8929 H 1 UNL1111111111 0.1427 53 H -0.4333 -0.7051 -2.0784 H 1 UNL1111111111 0.1464 54 H 1.1025 0.1607 -2.0867 H 1 UNL1111111111 0.1465 55 H -3.6143 -1.7245 -1.9394 H 1 UNL1111111111 0.1437 56 H -5.0087 -0.6526 -2.0520 H 1 UNL1111111111 0.1494 57 H -3.3804 0.0066 -2.2043 H 1 UNL1111111111 0.1463 58 H 3.0705 -0.8683 -1.2067 H 1 UNL1111111111 0.1424 59 H -6.3172 -1.9240 -0.8497 H 1 UNL1111111111 0.1580 60 H -6.6623 -2.5351 0.7615 H 1 UNL1111111111 0.1479 61 H -6.8913 -0.2424 1.6877 H 1 UNL1111111111 0.1118 62 H -6.6134 2.3097 1.4527 H 1 UNL1111111111 0.1467 63 H -6.4469 2.9883 -0.1715 H 1 UNL1111111111 0.1492 64 H -7.8923 2.0850 0.2488 H 1 UNL1111111111 0.1356 65 H 2.8977 -2.5971 1.3489 H 1 UNL1111111111 0.1438 66 H 3.9487 -2.9609 -0.0242 H 1 UNL1111111111 0.1445 67 H 2.1937 -2.9520 -0.2361 H 1 UNL1111111111 0.1421 68 H 4.4175 -0.4449 1.5529 H 1 UNL1111111111 0.1464 69 H -8.6404 0.3107 0.1525 H 1 UNL1111111111 0.3126 70 H 6.4670 0.5513 1.5381 H 1 UNL1111111111 0.1399 71 H 6.2065 0.6835 -2.1762 H 1 UNL1111111111 0.1511 72 H 4.4515 0.8454 -2.0846 H 1 UNL1111111111 0.1548 73 H 5.1925 -0.7609 -2.2074 H 1 UNL1111111111 0.1546 74 H 8.0109 0.1046 -1.1030 H 1 UNL1111111111 0.1297 75 H 5.7143 2.6901 0.3243 H 1 UNL1111111111 0.1475 76 H 7.4161 2.6706 0.7995 H 1 UNL1111111111 0.1416 77 H 6.9658 2.3943 -0.8875 H 1 UNL1111111111 0.1432 78 H 9.9660 -0.1538 0.4929 H 1 UNL1111111111 0.1421 79 H 8.9325 0.3313 1.8404 H 1 UNL1111111111 0.1442 80 H 9.2891 1.4750 0.5395 H 1 UNL1111111111 0.1417 81 H 7.5000 -1.8014 1.2801 H 1 UNL1111111111 0.1447 82 H 8.5573 -2.1366 -0.0969 H 1 UNL1111111111 0.1403 83 H 6.8133 -1.9719 -0.3366 H 1 UNL1111111111 0.1497 @BOND 1 1 21 1 2 1 69 1 3 2 3 1 4 2 4 1 5 2 11 1 6 2 32 1 7 3 6 1 8 3 9 1 9 3 33 1 10 4 5 1 11 4 12 1 12 4 34 1 13 5 8 1 14 5 10 1 15 5 17 1 16 6 7 1 17 6 15 1 18 6 18 1 19 7 13 1 20 7 16 1 21 7 35 1 22 8 14 1 23 8 19 1 24 8 36 1 25 9 10 1 26 9 37 1 27 9 38 1 28 10 39 1 29 10 40 1 30 11 13 1 31 11 41 1 32 11 42 1 33 12 14 1 34 12 43 1 35 12 44 1 36 13 45 1 37 13 46 1 38 14 47 1 39 14 48 1 40 15 20 1 41 15 49 1 42 15 50 1 43 16 21 1 44 16 22 1 45 16 51 1 46 17 52 1 47 17 53 1 48 17 54 1 49 18 55 1 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