@MOLECULE 5.alpha.-ergosta-7,22-diene-3.beta.,5,6.beta.-triol 77 80 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3729 0.7486 1.6435 O.3 1 UNL11111111111 -0.5757 2 O -3.8098 2.3600 -1.5307 O.3 1 UNL11111111111 -0.5556 3 O -7.8077 -0.4230 -0.5101 O.3 1 UNL11111111111 -0.5801 4 C 0.7059 -0.5587 0.2006 C.3 1 UNL11111111111 0.0846 5 C -0.0360 0.6555 0.8343 C.3 1 UNL11111111111 -0.1626 6 C -2.2338 -0.5619 0.6510 C.3 1 UNL11111111111 -0.1503 7 C -3.5866 -0.5640 -0.1264 C.3 1 UNL11111111111 0.0560 8 C 2.1586 -0.3111 0.6969 C.3 1 UNL11111111111 -0.1375 9 C -1.4663 0.7174 0.4152 C.2 1 UNL11111111111 0.0724 10 C -4.3204 0.7605 0.2225 C.3 1 UNL11111111111 0.2427 11 C 0.0342 -1.8125 0.7711 C.3 1 UNL11111111111 -0.3025 12 C -1.4414 -1.8534 0.3493 C.3 1 UNL11111111111 -0.2702 13 C 0.8969 1.8404 0.5406 C.3 1 UNL11111111111 -0.2722 14 C 2.3147 1.2366 0.6449 C.3 1 UNL11111111111 -0.2791 15 C -4.4602 -1.7420 0.3592 C.3 1 UNL11111111111 -0.2840 16 C -3.5102 2.0215 -0.1925 C.3 1 UNL11111111111 0.1121 17 C -2.0438 1.8584 0.0197 C.2 1 UNL11111111111 -0.3303 18 C -5.7491 0.8353 -0.3230 C.3 1 UNL11111111111 -0.3971 19 C 0.6258 -0.5394 -1.3289 C.3 1 UNL11111111111 -0.4565 20 C 3.2791 -1.0061 -0.0996 C.3 1 UNL11111111111 -0.1011 21 C -3.3592 -0.6636 -1.6406 C.3 1 UNL11111111111 -0.4641 22 C -5.8710 -1.6954 -0.2310 C.3 1 UNL11111111111 -0.2974 23 C -6.5538 -0.3785 0.1557 C.3 1 UNL11111111111 0.1809 24 C 3.2187 -2.5339 0.0341 C.3 1 UNL11111111111 -0.4463 25 C 4.6069 -0.5402 0.4290 C.2 1 UNL11111111111 -0.1815 26 C 5.4910 0.1169 -0.3248 C.2 1 UNL11111111111 -0.1754 27 C 6.8112 0.5979 0.2038 C.3 1 UNL11111111111 -0.1072 28 C 7.9620 0.0624 -0.6859 C.3 1 UNL11111111111 -0.0675 29 C 6.7807 2.1338 0.2223 C.3 1 UNL11111111111 -0.4454 30 C 7.9038 -1.4693 -0.7573 C.3 1 UNL11111111111 -0.4562 31 C 9.3260 0.4944 -0.1342 C.3 1 UNL11111111111 -0.4546 32 H -0.0503 0.5149 1.9521 H 1 UNL11111111111 0.1548 33 H -2.4808 -0.5669 1.7512 H 1 UNL11111111111 0.1742 34 H 2.2280 -0.6452 1.7570 H 1 UNL11111111111 0.1344 35 H 0.1185 -1.8285 1.8731 H 1 UNL11111111111 0.1386 36 H 0.5461 -2.7266 0.4201 H 1 UNL11111111111 0.1410 37 H -1.4912 -2.0845 -0.7322 H 1 UNL11111111111 0.1451 38 H -1.9372 -2.7018 0.8600 H 1 UNL11111111111 0.1357 39 H 0.7481 2.6672 1.2499 H 1 UNL11111111111 0.1359 40 H 0.7171 2.2520 -0.4661 H 1 UNL11111111111 0.1416 41 H 2.9325 1.5432 -0.2142 H 1 UNL11111111111 0.1420 42 H 2.8403 1.5979 1.5413 H 1 UNL11111111111 0.1347 43 H -4.5205 -1.7162 1.4672 H 1 UNL11111111111 0.1556 44 H -3.9829 -2.7039 0.0994 H 1 UNL11111111111 0.1374 45 H -3.8933 2.9148 0.3622 H 1 UNL11111111111 0.1433 46 H -1.4723 2.7700 -0.1372 H 1 UNL11111111111 0.1634 47 H -5.7361 0.8754 -1.4318 H 1 UNL11111111111 0.1812 48 H -6.2324 1.7780 -0.0133 H 1 UNL11111111111 0.1455 49 H -0.4067 -0.4111 -1.6742 H 1 UNL11111111111 0.1505 50 H 1.2064 0.2898 -1.7482 H 1 UNL11111111111 0.1489 51 H 1.0072 -1.4704 -1.7594 H 1 UNL11111111111 0.1425 52 H 3.1805 -0.7393 -1.1804 H 1 UNL11111111111 0.1432 53 H -4.2549 -0.3770 -2.2050 H 1 UNL11111111111 0.1561 54 H -2.5305 -0.0231 -1.9656 H 1 UNL11111111111 0.1463 55 H -3.1159 -1.6894 -1.9412 H 1 UNL11111111111 0.1511 56 H -5.8505 -1.7988 -1.3321 H 1 UNL11111111111 0.1548 57 H -6.4752 -2.5484 0.1309 H 1 UNL11111111111 0.1482 58 H -6.7530 -0.3285 1.2489 H 1 UNL11111111111 0.1189 59 H -4.8641 1.5148 1.9887 H 1 UNL11111111111 0.3155 60 H 3.1691 -2.8465 1.0820 H 1 UNL11111111111 0.1442 61 H 4.1085 -2.9989 -0.4069 H 1 UNL11111111111 0.1467 62 H 2.3447 -2.9443 -0.4824 H 1 UNL11111111111 0.1436 63 H 4.7935 -0.7787 1.4730 H 1 UNL11111111111 0.1450 64 H -3.2768 1.8252 -2.1537 H 1 UNL11111111111 0.3194 65 H -8.2697 0.4307 -0.4501 H 1 UNL11111111111 0.3137 66 H 5.3034 0.3549 -1.3693 H 1 UNL11111111111 0.1440 67 H 6.9731 0.2300 1.2459 H 1 UNL11111111111 0.1387 68 H 7.8407 0.4769 -1.7146 H 1 UNL11111111111 0.1300 69 H 7.6636 2.5451 0.7215 H 1 UNL11111111111 0.1430 70 H 5.8984 2.4996 0.7605 H 1 UNL11111111111 0.1464 71 H 6.7456 2.5478 -0.7905 H 1 UNL11111111111 0.1443 72 H 8.7018 -1.8678 -1.3916 H 1 UNL11111111111 0.1412 73 H 8.0111 -1.9204 0.2347 H 1 UNL11111111111 0.1445 74 H 6.9490 -1.8141 -1.1710 H 1 UNL11111111111 0.1480 75 H 9.4589 0.1726 0.9040 H 1 UNL11111111111 0.1440 76 H 10.1433 0.0601 -0.7203 H 1 UNL11111111111 0.1426 77 H 9.4462 1.5823 -0.1637 H 1 UNL11111111111 0.1421 @BOND 1 1 10 1 2 1 59 1 3 2 16 1 4 2 64 1 5 3 23 1 6 3 65 1 7 4 5 1 8 4 8 1 9 4 11 1 10 4 19 1 11 5 9 1 12 5 13 1 13 5 32 1 14 6 7 1 15 6 9 1 16 6 12 1 17 6 33 1 18 7 10 1 19 7 15 1 20 7 21 1 21 8 14 1 22 8 20 1 23 8 34 1 24 9 17 2 25 10 16 1 26 10 18 1 27 11 12 1 28 11 35 1 29 11 36 1 30 12 37 1 31 12 38 1 32 13 14 1 33 13 39 1 34 13 40 1 35 14 41 1 36 14 42 1 37 15 22 1 38 15 43 1 39 15 44 1 40 16 17 1 41 16 45 1 42 17 46 1 43 18 23 1 44 18 47 1 45 18 48 1 46 19 49 1 47 19 50 1 48 19 51 1 49 20 24 1 50 20 25 1 51 20 52 1 52 21 53 1 53 21 54 1 54 21 55 1 55 22 23 1 56 22 56 1 57 22 57 1 58 23 58 1 59 24 60 1 60 24 61 1 61 24 62 1 62 25 26 2 63 25 63 1 64 26 27 1 65 26 66 1 66 27 28 1 67 27 29 1 68 27 67 1 69 28 30 1 70 28 31 1 71 28 68 1 72 29 69 1 73 29 70 1 74 29 71 1 75 30 72 1 76 30 73 1 77 30 74 1 78 31 75 1 79 31 76 1 80 31 77 1