@MOLECULE (3beta,5beta,18alpha,19alpha)-urs-20(30)-en-3-ol 81 85 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.7620 -0.5935 0.6828 O.3 1 UNL1111111111 -0.5722 2 C -0.4640 0.7901 -0.2394 C.3 1 UNL1111111111 0.0671 3 C 0.9798 0.8845 0.4096 C.3 1 UNL1111111111 0.0602 4 C -1.0973 -0.5725 0.1499 C.3 1 UNL1111111111 -0.1459 5 C 1.8575 -0.2976 -0.0926 C.3 1 UNL1111111111 -0.1324 6 C -2.5907 -0.7957 -0.2958 C.3 1 UNL1111111111 0.0765 7 C -3.3472 0.5678 -0.3553 C.3 1 UNL1111111111 -0.1467 8 C 3.3195 -0.1924 0.4164 C.3 1 UNL1111111111 -0.1444 9 C -1.3506 1.9436 0.2998 C.3 1 UNL1111111111 -0.3027 10 C -0.2014 -1.7361 -0.3037 C.3 1 UNL1111111111 -0.2769 11 C 3.9569 1.1403 -0.0585 C.3 1 UNL1111111111 0.0860 12 C 1.6459 2.2128 -0.0156 C.3 1 UNL1111111111 -0.2950 13 C 1.2018 -1.6295 0.3008 C.3 1 UNL1111111111 -0.2880 14 C -2.7486 1.4814 0.7271 C.3 1 UNL1111111111 -0.2810 15 C -4.9031 0.4897 -0.2871 C.3 1 UNL1111111111 0.0680 16 C 3.0956 2.3153 0.4603 C.3 1 UNL1111111111 -0.2970 17 C -3.2024 -1.7347 0.7785 C.3 1 UNL1111111111 -0.2908 18 C -0.3757 0.9325 -1.7698 C.3 1 UNL1111111111 -0.4671 19 C 0.8837 0.8632 1.9486 C.3 1 UNL1111111111 -0.4629 20 C 4.1724 -1.4118 -0.0232 C.3 1 UNL1111111111 -0.1201 21 C -2.6605 -1.4951 -1.6616 C.3 1 UNL1111111111 -0.4735 22 C -5.3496 -0.4970 0.8142 C.3 1 UNL1111111111 0.1414 23 C 5.3689 1.3046 0.5617 C.3 1 UNL1111111111 -0.2914 24 C -4.7153 -1.8805 0.6524 C.3 1 UNL1111111111 -0.3336 25 C 4.0685 1.2295 -1.5884 C.3 1 UNL1111111111 -0.4664 26 C 6.1814 0.0009 0.6075 C.3 1 UNL1111111111 -0.2927 27 C 5.6042 -1.0335 -0.3044 C.2 1 UNL1111111111 0.0775 28 C -5.4924 0.0738 -1.6467 C.3 1 UNL1111111111 -0.4553 29 C -5.5297 1.8616 0.0378 C.3 1 UNL1111111111 -0.4599 30 C 4.2169 -2.4910 1.0746 C.3 1 UNL1111111111 -0.4490 31 C 6.3114 -1.6125 -1.2779 C.2 1 UNL1111111111 -0.4159 32 H -1.1058 -0.5853 1.2730 H 1 UNL1111111111 0.1392 33 H 1.8914 -0.2498 -1.2092 H 1 UNL1111111111 0.1409 34 H -3.1153 1.0331 -1.3478 H 1 UNL1111111111 0.1460 35 H 3.3039 -0.1723 1.5321 H 1 UNL1111111111 0.1417 36 H -1.4472 2.7316 -0.4708 H 1 UNL1111111111 0.1373 37 H -0.8709 2.4481 1.1583 H 1 UNL1111111111 0.1391 38 H -0.1226 -1.7603 -1.4066 H 1 UNL1111111111 0.1416 39 H -0.6559 -2.6997 -0.0069 H 1 UNL1111111111 0.1302 40 H 1.0676 3.0689 0.3771 H 1 UNL1111111111 0.1342 41 H 1.6209 2.3181 -1.1169 H 1 UNL1111111111 0.1432 42 H 1.1610 -1.7307 1.3996 H 1 UNL1111111111 0.1380 43 H 1.8079 -2.4798 -0.0654 H 1 UNL1111111111 0.1378 44 H -2.7144 0.9573 1.6983 H 1 UNL1111111111 0.1346 45 H -3.3705 2.3779 0.9000 H 1 UNL1111111111 0.1402 46 H 3.5315 3.2726 0.1214 H 1 UNL1111111111 0.1345 47 H 3.1259 2.3475 1.5651 H 1 UNL1111111111 0.1361 48 H -2.9605 -1.3504 1.7892 H 1 UNL1111111111 0.1361 49 H -2.7221 -2.7288 0.7140 H 1 UNL1111111111 0.1385 50 H -1.3708 0.8786 -2.2258 H 1 UNL1111111111 0.1495 51 H 0.0566 1.8925 -2.0690 H 1 UNL1111111111 0.1407 52 H 0.2334 0.1420 -2.2196 H 1 UNL1111111111 0.1471 53 H 0.2886 0.0190 2.3115 H 1 UNL1111111111 0.1459 54 H 1.8743 0.7786 2.4083 H 1 UNL1111111111 0.1458 55 H 0.4280 1.7780 2.3406 H 1 UNL1111111111 0.1414 56 H 3.7196 -1.8473 -0.9474 H 1 UNL1111111111 0.1456 57 H -3.6933 -1.5741 -2.0221 H 1 UNL1111111111 0.1507 58 H -2.0922 -0.9539 -2.4241 H 1 UNL1111111111 0.1478 59 H -2.2737 -2.5180 -1.6193 H 1 UNL1111111111 0.1438 60 H -5.1405 -0.0781 1.8243 H 1 UNL1111111111 0.1122 61 H 5.2833 1.7073 1.5877 H 1 UNL1111111111 0.1334 62 H 5.9249 2.0694 -0.0119 H 1 UNL1111111111 0.1397 63 H -4.9959 -2.3223 -0.3216 H 1 UNL1111111111 0.1557 64 H -5.1017 -2.5774 1.4172 H 1 UNL1111111111 0.1326 65 H 3.1051 1.0548 -2.0776 H 1 UNL1111111111 0.1464 66 H 4.4228 2.2159 -1.9033 H 1 UNL1111111111 0.1413 67 H 4.7717 0.4883 -1.9857 H 1 UNL1111111111 0.1571 68 H 6.1961 -0.3983 1.6436 H 1 UNL1111111111 0.1471 69 H 7.2404 0.2106 0.3611 H 1 UNL1111111111 0.1428 70 H -5.1862 -0.9346 -1.9440 H 1 UNL1111111111 0.1433 71 H -6.5908 0.0596 -1.5993 H 1 UNL1111111111 0.1634 72 H -5.1990 0.7677 -2.4389 H 1 UNL1111111111 0.1378 73 H -5.1916 2.6309 -0.6617 H 1 UNL1111111111 0.1415 74 H -6.6253 1.8012 -0.0320 H 1 UNL1111111111 0.1615 75 H -5.3074 2.1937 1.0559 H 1 UNL1111111111 0.1399 76 H 3.2179 -2.8340 1.3573 H 1 UNL1111111111 0.1472 77 H 4.7847 -3.3655 0.7361 H 1 UNL1111111111 0.1473 78 H 4.7006 -2.1161 1.9833 H 1 UNL1111111111 0.1440 79 H -7.1165 -1.2792 1.2751 H 1 UNL1111111111 0.3083 80 H 5.9153 -2.3639 -1.9387 H 1 UNL1111111111 0.1475 81 H 7.3402 -1.3796 -1.4892 H 1 UNL1111111111 0.1464 @BOND 1 1 22 1 2 1 79 1 3 2 3 1 4 2 4 1 5 2 9 1 6 2 18 1 7 3 5 1 8 3 12 1 9 3 19 1 10 4 6 1 11 4 10 1 12 4 32 1 13 5 8 1 14 5 13 1 15 5 33 1 16 6 7 1 17 6 17 1 18 6 21 1 19 7 14 1 20 7 15 1 21 7 34 1 22 8 11 1 23 8 20 1 24 8 35 1 25 9 14 1 26 9 36 1 27 9 37 1 28 10 13 1 29 10 38 1 30 10 39 1 31 11 16 1 32 11 23 1 33 11 25 1 34 12 16 1 35 12 40 1 36 12 41 1 37 13 42 1 38 13 43 1 39 14 44 1 40 14 45 1 41 15 22 1 42 15 28 1 43 15 29 1 44 16 46 1 45 16 47 1 46 17 24 1 47 17 48 1 48 17 49 1 49 18 50 1 50 18 51 1 51 18 52 1 52 19 53 1 53 19 54 1 54 19 55 1 55 20 27 1 56 20 30 1 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