@MOLECULE (3beta,7alpha)-stigmast-5-ene-3,7-diol 81 84 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.4017 -2.5499 1.3354 O.3 1 UNL1111111111 -0.5482 2 O 8.1389 0.1875 -0.5861 O.3 1 UNL1111111111 -0.5634 3 C -0.4509 0.5004 0.4857 C.3 1 UNL1111111111 0.0718 4 C 0.3668 -0.8195 0.6055 C.3 1 UNL1111111111 -0.1271 5 C 1.6929 -0.7430 -0.1451 C.3 1 UNL1111111111 -0.1874 6 C 2.5366 0.4097 0.4454 C.3 1 UNL1111111111 -0.1262 7 C -1.7695 0.0816 1.2059 C.3 1 UNL1111111111 -0.1432 8 C 0.3759 1.5817 1.1943 C.3 1 UNL1111111111 -0.2986 9 C 3.8706 0.5706 -0.3504 C.3 1 UNL1111111111 0.0480 10 C -0.6337 -1.9046 0.1850 C.3 1 UNL1111111111 -0.2772 11 C 1.7458 1.7312 0.5096 C.3 1 UNL1111111111 -0.2774 12 C -1.9815 -1.3926 0.7410 C.3 1 UNL1111111111 -0.2791 13 C 2.4591 -2.0726 0.0032 C.3 1 UNL1111111111 0.1491 14 C -3.0091 0.9474 0.9196 C.3 1 UNL1111111111 -0.0927 15 C -0.7333 0.9013 -0.9672 C.3 1 UNL1111111111 -0.4551 16 C 4.5298 -0.7776 -0.5510 C.2 1 UNL1111111111 0.0331 17 C 4.7962 1.4912 0.4856 C.3 1 UNL1111111111 -0.2808 18 C 3.8922 -1.9445 -0.4079 C.2 1 UNL1111111111 -0.2912 19 C 3.6290 1.1783 -1.7424 C.3 1 UNL1111111111 -0.4507 20 C 5.9620 -0.7677 -0.9948 C.3 1 UNL1111111111 -0.3573 21 C 6.2211 1.5627 -0.0625 C.3 1 UNL1111111111 -0.3347 22 C -4.2462 0.3825 1.6560 C.3 1 UNL1111111111 -0.2912 23 C 6.8136 0.1511 -0.1060 C.3 1 UNL1111111111 0.1784 24 C -2.7971 2.4043 1.3521 C.3 1 UNL1111111111 -0.4526 25 C -5.5387 0.6568 0.8737 C.3 1 UNL1111111111 -0.2846 26 C -5.6652 -0.2568 -0.3606 C.3 1 UNL1111111111 -0.1162 27 C -6.5644 0.3654 -1.4576 C.3 1 UNL1111111111 -0.0765 28 C -6.1853 -1.6481 0.0543 C.3 1 UNL1111111111 -0.2680 29 C -5.8101 1.4845 -2.1901 C.3 1 UNL1111111111 -0.4561 30 C -7.8909 0.9007 -0.9075 C.3 1 UNL1111111111 -0.4522 31 C -5.7858 -2.7252 -0.9552 C.3 1 UNL1111111111 -0.4387 32 H 0.6026 -0.9883 1.6883 H 1 UNL1111111111 0.1485 33 H 1.5127 -0.5633 -1.2285 H 1 UNL1111111111 0.1486 34 H 2.8005 0.1278 1.4944 H 1 UNL1111111111 0.1333 35 H -1.5855 0.0912 2.3033 H 1 UNL1111111111 0.1331 36 H 0.5083 1.3248 2.2608 H 1 UNL1111111111 0.1374 37 H -0.1501 2.5526 1.1822 H 1 UNL1111111111 0.1392 38 H -0.3617 -2.8858 0.6054 H 1 UNL1111111111 0.1444 39 H -0.6692 -2.0254 -0.9078 H 1 UNL1111111111 0.1324 40 H 1.5941 2.1354 -0.5087 H 1 UNL1111111111 0.1430 41 H 2.3380 2.4916 1.0523 H 1 UNL1111111111 0.1318 42 H -2.7666 -1.4549 -0.0287 H 1 UNL1111111111 0.1368 43 H -2.3184 -2.0152 1.5833 H 1 UNL1111111111 0.1321 44 H 1.9364 -2.8891 -0.5507 H 1 UNL1111111111 0.1448 45 H -3.2089 0.9310 -0.1795 H 1 UNL1111111111 0.1397 46 H 0.1858 0.9779 -1.5565 H 1 UNL1111111111 0.1424 47 H -1.3752 0.1652 -1.4641 H 1 UNL1111111111 0.1485 48 H -1.2353 1.8727 -1.0201 H 1 UNL1111111111 0.1418 49 H 4.8236 1.1308 1.5332 H 1 UNL1111111111 0.1427 50 H 4.3644 2.5085 0.5254 H 1 UNL1111111111 0.1437 51 H 4.3942 -2.8986 -0.5566 H 1 UNL1111111111 0.1613 52 H 4.5464 1.1938 -2.3403 H 1 UNL1111111111 0.1455 53 H 2.8841 0.6022 -2.3029 H 1 UNL1111111111 0.1502 54 H 3.2730 2.2117 -1.6761 H 1 UNL1111111111 0.1477 55 H 6.4017 -1.7866 -0.9857 H 1 UNL1111111111 0.1633 56 H 6.0227 -0.4410 -2.0528 H 1 UNL1111111111 0.1556 57 H 6.2336 2.0242 -1.0653 H 1 UNL1111111111 0.1430 58 H 6.8496 2.2151 0.5733 H 1 UNL1111111111 0.1523 59 H -4.1428 -0.7041 1.8270 H 1 UNL1111111111 0.1419 60 H -4.3168 0.8254 2.6660 H 1 UNL1111111111 0.1363 61 H 6.9496 -0.2764 0.9136 H 1 UNL1111111111 0.1455 62 H -2.0684 2.9112 0.7110 H 1 UNL1111111111 0.1410 63 H -2.4385 2.4687 2.3844 H 1 UNL1111111111 0.1425 64 H -3.7320 2.9724 1.2895 H 1 UNL1111111111 0.1422 65 H 2.9246 -1.9776 1.9303 H 1 UNL1111111111 0.3109 66 H -5.5626 1.7186 0.5636 H 1 UNL1111111111 0.1407 67 H -6.4147 0.5226 1.5336 H 1 UNL1111111111 0.1343 68 H -4.6459 -0.3885 -0.8038 H 1 UNL1111111111 0.1394 69 H 8.1902 0.5742 -1.4788 H 1 UNL1111111111 0.3117 70 H -6.7963 -0.4388 -2.2004 H 1 UNL1111111111 0.1302 71 H -5.7852 -1.9152 1.0515 H 1 UNL1111111111 0.1373 72 H -7.2836 -1.6251 0.1732 H 1 UNL1111111111 0.1345 73 H -4.8946 1.1081 -2.6581 H 1 UNL1111111111 0.1407 74 H -5.5231 2.2913 -1.5073 H 1 UNL1111111111 0.1450 75 H -6.4280 1.9258 -2.9787 H 1 UNL1111111111 0.1414 76 H -8.5618 1.1979 -1.7205 H 1 UNL1111111111 0.1391 77 H -7.7423 1.7779 -0.2695 H 1 UNL1111111111 0.1442 78 H -8.4108 0.1438 -0.3111 H 1 UNL1111111111 0.1418 79 H -6.1688 -2.5017 -1.9568 H 1 UNL1111111111 0.1407 80 H -6.1803 -3.7047 -0.6640 H 1 UNL1111111111 0.1391 81 H -4.6963 -2.8177 -1.0315 H 1 UNL1111111111 0.1428 @BOND 1 1 13 1 2 1 65 1 3 2 23 1 4 2 69 1 5 3 4 1 6 3 7 1 7 3 8 1 8 3 15 1 9 4 5 1 10 4 10 1 11 4 32 1 12 5 6 1 13 5 13 1 14 5 33 1 15 6 9 1 16 6 11 1 17 6 34 1 18 7 12 1 19 7 14 1 20 7 35 1 21 8 11 1 22 8 36 1 23 8 37 1 24 9 16 1 25 9 17 1 26 9 19 1 27 10 12 1 28 10 38 1 29 10 39 1 30 11 40 1 31 11 41 1 32 12 42 1 33 12 43 1 34 13 18 1 35 13 44 1 36 14 22 1 37 14 24 1 38 14 45 1 39 15 46 1 40 15 47 1 41 15 48 1 42 16 18 2 43 16 20 1 44 17 21 1 45 17 49 1 46 17 50 1 47 18 51 1 48 19 52 1 49 19 53 1 50 19 54 1 51 20 23 1 52 20 55 1 53 20 56 1 54 21 23 1 55 21 57 1 56 21 58 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