@MOLECULE (3beta,17xi,22e)-24,28-epoxystigmasta-5,22-dien-3-ol 77 81 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.5686 -0.2499 -0.2564 O.3 1 UNL1111111111 -0.5672 2 O 6.4929 0.3223 -1.3935 O.3 1 UNL1111111111 -0.3749 3 C 0.0325 0.6097 0.1364 C.3 1 UNL1111111111 0.0751 4 C -0.6537 -0.6811 -0.4040 C.3 1 UNL1111111111 -0.1450 5 C -2.0831 -0.8206 0.1154 C.3 1 UNL1111111111 -0.1188 6 C -2.9035 0.4033 -0.3593 C.3 1 UNL1111111111 -0.1324 7 C 1.4770 0.4047 -0.4078 C.3 1 UNL1111111111 -0.1315 8 C -0.7372 1.7920 -0.4663 C.3 1 UNL1111111111 -0.2972 9 C -4.3492 0.3425 0.2283 C.3 1 UNL1111111111 0.0630 10 C 0.3445 -1.7967 -0.0665 C.3 1 UNL1111111111 -0.2791 11 C -2.2108 1.7403 -0.0286 C.3 1 UNL1111111111 -0.2799 12 C 1.7254 -1.1219 -0.2280 C.3 1 UNL1111111111 -0.2773 13 C -2.7224 -2.1026 -0.4452 C.3 1 UNL1111111111 -0.2851 14 C 0.0367 0.6963 1.6667 C.3 1 UNL1111111111 -0.4582 15 C 2.5912 1.2272 0.2665 C.3 1 UNL1111111111 -0.1138 16 C -4.9307 -1.0423 0.0483 C.2 1 UNL1111111111 -0.0172 17 C -5.2072 1.3766 -0.5451 C.3 1 UNL1111111111 -0.2825 18 C -4.1974 -2.1233 -0.2409 C.2 1 UNL1111111111 -0.1974 19 C -4.3595 0.6616 1.7341 C.3 1 UNL1111111111 -0.4530 20 C -6.4075 -1.1842 0.2698 C.3 1 UNL1111111111 -0.3488 21 C -6.6972 1.2770 -0.2185 C.3 1 UNL1111111111 -0.3326 22 C -7.1901 -0.1381 -0.5374 C.3 1 UNL1111111111 0.1780 23 C 2.4380 2.7306 -0.0000 C.3 1 UNL1111111111 -0.4443 24 C 3.9133 0.7850 -0.2923 C.2 1 UNL1111111111 -0.1218 25 C 6.1496 -0.2301 -0.1138 C.3 1 UNL1111111111 0.1330 26 C 4.8584 0.2059 0.4525 C.2 1 UNL1111111111 -0.2239 27 C 7.2784 0.7487 -0.2754 C.3 1 UNL1111111111 0.0211 28 C 6.4739 -1.7122 0.0174 C.3 1 UNL1111111111 -0.0864 29 C 7.1295 2.1887 0.1176 C.3 1 UNL1111111111 -0.4639 30 C 5.3017 -2.5611 -0.4825 C.3 1 UNL1111111111 -0.4437 31 C 6.8105 -2.0445 1.4740 C.3 1 UNL1111111111 -0.4494 32 H -0.7062 -0.6011 -1.5203 H 1 UNL1111111111 0.1381 33 H -2.0886 -0.8698 1.2266 H 1 UNL1111111111 0.1421 34 H -2.9890 0.3314 -1.4722 H 1 UNL1111111111 0.1396 35 H 1.4775 0.6456 -1.4956 H 1 UNL1111111111 0.1369 36 H -0.2914 2.7522 -0.1519 H 1 UNL1111111111 0.1376 37 H -0.6671 1.7739 -1.5690 H 1 UNL1111111111 0.1380 38 H 0.1987 -2.1684 0.9596 H 1 UNL1111111111 0.1360 39 H 0.2326 -2.6645 -0.7318 H 1 UNL1111111111 0.1326 40 H -2.7595 2.5677 -0.5166 H 1 UNL1111111111 0.1324 41 H -2.2675 1.9406 1.0578 H 1 UNL1111111111 0.1424 42 H 2.2707 -1.5250 -1.0946 H 1 UNL1111111111 0.1367 43 H 2.3573 -1.3169 0.6524 H 1 UNL1111111111 0.1363 44 H -2.5025 -2.1976 -1.5304 H 1 UNL1111111111 0.1505 45 H -2.2528 -2.9873 0.0308 H 1 UNL1111111111 0.1450 46 H 0.6242 -0.1151 2.1102 H 1 UNL1111111111 0.1477 47 H 0.4596 1.6464 2.0076 H 1 UNL1111111111 0.1419 48 H -0.9741 0.6248 2.0825 H 1 UNL1111111111 0.1465 49 H 2.5604 1.0541 1.3700 H 1 UNL1111111111 0.1439 50 H -4.8472 2.3980 -0.3218 H 1 UNL1111111111 0.1405 51 H -5.0588 1.2316 -1.6333 H 1 UNL1111111111 0.1428 52 H -4.6532 -3.1055 -0.3562 H 1 UNL1111111111 0.1449 53 H -3.6604 0.0164 2.2778 H 1 UNL1111111111 0.1487 54 H -4.0828 1.7020 1.9303 H 1 UNL1111111111 0.1446 55 H -5.3518 0.5050 2.1696 H 1 UNL1111111111 0.1450 56 H -6.6344 -1.0832 1.3503 H 1 UNL1111111111 0.1517 57 H -6.7677 -2.1963 -0.0054 H 1 UNL1111111111 0.1576 58 H -7.2742 2.0165 -0.8048 H 1 UNL1111111111 0.1501 59 H -6.8825 1.5250 0.8416 H 1 UNL1111111111 0.1424 60 H -7.1583 -0.3544 -1.6292 H 1 UNL1111111111 0.1437 61 H 1.5654 3.1391 0.5208 H 1 UNL1111111111 0.1453 62 H 3.3176 3.2826 0.3505 H 1 UNL1111111111 0.1443 63 H 2.3198 2.9416 -1.0684 H 1 UNL1111111111 0.1478 64 H 4.0565 0.9679 -1.3589 H 1 UNL1111111111 0.1618 65 H 4.7402 0.0125 1.5164 H 1 UNL1111111111 0.1549 66 H 8.3086 0.3790 -0.2968 H 1 UNL1111111111 0.1438 67 H -8.7599 -0.0729 0.6831 H 1 UNL1111111111 0.3114 68 H 7.3661 -1.9364 -0.6225 H 1 UNL1111111111 0.1466 69 H 6.0895 2.5336 0.0126 H 1 UNL1111111111 0.1676 70 H 7.4265 2.3494 1.1614 H 1 UNL1111111111 0.1543 71 H 7.7463 2.8393 -0.5168 H 1 UNL1111111111 0.1579 72 H 4.4054 -2.4160 0.1318 H 1 UNL1111111111 0.1495 73 H 5.5479 -3.6274 -0.4666 H 1 UNL1111111111 0.1427 74 H 5.0385 -2.2930 -1.5138 H 1 UNL1111111111 0.1534 75 H 5.9465 -1.8986 2.1320 H 1 UNL1111111111 0.1481 76 H 7.1253 -3.0890 1.5758 H 1 UNL1111111111 0.1461 77 H 7.6235 -1.4147 1.8511 H 1 UNL1111111111 0.1431 @BOND 1 1 22 1 2 1 67 1 3 2 25 1 4 2 27 1 5 3 4 1 6 3 7 1 7 3 8 1 8 3 14 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 15 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 13 45 1 37 14 46 1 38 14 47 1 39 14 48 1 40 15 23 1 41 15 24 1 42 15 49 1 43 16 18 2 44 16 20 1 45 17 21 1 46 17 50 1 47 17 51 1 48 18 52 1 49 19 53 1 50 19 54 1 51 19 55 1 52 20 22 1 53 20 56 1 54 20 57 1 55 21 22 1 56 21 58 1 57 21 59 1 58 22 60 1 59 23 61 1 60 23 62 1 61 23 63 1 62 24 26 2 63 24 64 1 64 25 26 1 65 25 27 1 66 25 28 1 67 26 65 1 68 27 29 1 69 27 66 1 70 28 30 1 71 28 31 1 72 28 68 1 73 29 69 1 74 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