@MOLECULE 24-norcholan-3-ol, 23-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-, (3alpha,5beta)- 78 82 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.7566 -3.2973 -1.5492 O.3 1 UNL1111111111 -0.5766 2 O 6.2820 0.0832 -1.4354 O.2 1 UNL1111111111 -0.3997 3 N 5.6751 -1.1459 0.3639 N.2 1 UNL1111111111 -0.5153 4 C -0.3680 1.2594 0.0541 C.3 1 UNL1111111111 0.0722 5 C -1.0052 0.1659 0.9658 C.3 1 UNL1111111111 -0.1458 6 C -2.4960 0.4191 1.1890 C.3 1 UNL1111111111 -0.1226 7 C -3.1947 0.3215 -0.1927 C.3 1 UNL1111111111 -0.1305 8 C -4.7229 0.5409 -0.0540 C.3 1 UNL1111111111 0.0690 9 C 1.1312 0.8361 0.1259 C.3 1 UNL1111111111 -0.1367 10 C -1.0304 1.1178 -1.3230 C.3 1 UNL1111111111 -0.2985 11 C -5.3130 -0.4985 0.9421 C.3 1 UNL1111111111 -0.1086 12 C -2.5553 1.2922 -1.2051 C.3 1 UNL1111111111 -0.2809 13 C -0.0845 0.1306 2.1925 C.3 1 UNL1111111111 -0.2832 14 C -3.0785 -0.6211 2.1566 C.3 1 UNL1111111111 -0.2808 15 C 1.3196 0.4254 1.6163 C.3 1 UNL1111111111 -0.2756 16 C -4.5920 -0.4407 2.3003 C.3 1 UNL1111111111 -0.2810 17 C -5.4459 0.3808 -1.4156 C.3 1 UNL1111111111 -0.2967 18 C -0.5560 2.6813 0.5931 C.3 1 UNL1111111111 -0.4602 19 C 2.1691 1.8849 -0.3079 C.3 1 UNL1111111111 -0.0869 20 C -5.2582 -1.9327 0.3878 C.3 1 UNL1111111111 -0.3523 21 C -5.0462 1.9599 0.4533 C.3 1 UNL1111111111 -0.4684 22 C -5.3593 -1.0378 -1.9744 C.3 1 UNL1111111111 -0.2997 23 C -5.9685 -2.0181 -0.9672 C.3 1 UNL1111111111 0.1676 24 C 3.6075 1.3651 -0.0926 C.3 1 UNL1111111111 -0.2733 25 C 1.9821 2.3011 -1.7715 C.3 1 UNL1111111111 -0.4521 26 C 3.9310 0.1228 -0.9362 C.3 1 UNL1111111111 -0.2852 27 C 5.2841 -0.3717 -0.5905 C.2 1 UNL1111111111 0.3884 28 C 7.1439 -1.3264 0.2860 C.3 1 UNL1111111111 0.2229 29 C 7.5269 -0.4663 -0.9735 C.3 1 UNL1111111111 -0.1117 30 C 7.4718 -2.8053 0.0833 C.3 1 UNL1111111111 -0.4675 31 C 7.7961 -0.7858 1.5588 C.3 1 UNL1111111111 -0.4677 32 H -0.9061 -0.8204 0.4434 H 1 UNL1111111111 0.1387 33 H -2.6502 1.4347 1.6172 H 1 UNL1111111111 0.1391 34 H -3.0373 -0.7172 -0.5783 H 1 UNL1111111111 0.1436 35 H 1.2563 -0.0668 -0.5148 H 1 UNL1111111111 0.1344 36 H -0.7963 0.1304 -1.7611 H 1 UNL1111111111 0.1388 37 H -0.6304 1.8648 -2.0306 H 1 UNL1111111111 0.1375 38 H -6.3867 -0.2358 1.1070 H 1 UNL1111111111 0.1285 39 H -2.7855 2.3360 -0.9248 H 1 UNL1111111111 0.1385 40 H -3.0090 1.1361 -2.2021 H 1 UNL1111111111 0.1355 41 H -0.1194 -0.8422 2.7037 H 1 UNL1111111111 0.1331 42 H -0.3786 0.8858 2.9372 H 1 UNL1111111111 0.1339 43 H -2.5926 -0.5256 3.1455 H 1 UNL1111111111 0.1353 44 H -2.8450 -1.6427 1.8043 H 1 UNL1111111111 0.1387 45 H 1.8085 1.2270 2.1906 H 1 UNL1111111111 0.1335 46 H 1.9746 -0.4567 1.6924 H 1 UNL1111111111 0.1418 47 H -5.0008 -1.2153 2.9748 H 1 UNL1111111111 0.1326 48 H -4.8077 0.5264 2.7928 H 1 UNL1111111111 0.1371 49 H -5.0326 1.0985 -2.1480 H 1 UNL1111111111 0.1411 50 H -6.5092 0.6659 -1.2958 H 1 UNL1111111111 0.1376 51 H -0.1410 3.4240 -0.0946 H 1 UNL1111111111 0.1418 52 H -1.6141 2.9278 0.7320 H 1 UNL1111111111 0.1457 53 H -0.0653 2.8082 1.5640 H 1 UNL1111111111 0.1469 54 H 2.0491 2.7936 0.3339 H 1 UNL1111111111 0.1365 55 H -4.2080 -2.2646 0.2717 H 1 UNL1111111111 0.1618 56 H -5.7161 -2.6316 1.1093 H 1 UNL1111111111 0.1348 57 H -4.7542 2.7216 -0.2770 H 1 UNL1111111111 0.1444 58 H -6.1172 2.0821 0.6449 H 1 UNL1111111111 0.1417 59 H -4.5197 2.1862 1.3864 H 1 UNL1111111111 0.1489 60 H -5.8874 -1.1154 -2.9431 H 1 UNL1111111111 0.1481 61 H -4.3117 -1.3238 -2.1901 H 1 UNL1111111111 0.1583 62 H -7.0662 -1.8757 -0.8667 H 1 UNL1111111111 0.1094 63 H 4.3269 2.1732 -0.3342 H 1 UNL1111111111 0.1440 64 H 3.7655 1.1342 0.9801 H 1 UNL1111111111 0.1515 65 H 1.8660 1.4336 -2.4295 H 1 UNL1111111111 0.1450 66 H 2.8391 2.8801 -2.1335 H 1 UNL1111111111 0.1447 67 H 1.0934 2.9299 -1.8955 H 1 UNL1111111111 0.1428 68 H 3.1807 -0.6791 -0.7492 H 1 UNL1111111111 0.1788 69 H 3.8691 0.3633 -2.0199 H 1 UNL1111111111 0.1736 70 H -5.9757 -4.0086 -0.9237 H 1 UNL1111111111 0.3119 71 H 8.1744 0.3891 -0.7467 H 1 UNL1111111111 0.1432 72 H 7.9300 -1.0550 -1.8063 H 1 UNL1111111111 0.1437 73 H 8.5509 -2.9760 0.0203 H 1 UNL1111111111 0.1476 74 H 7.0059 -3.2024 -0.8266 H 1 UNL1111111111 0.1556 75 H 7.0816 -3.4032 0.9193 H 1 UNL1111111111 0.1675 76 H 8.8831 -0.9045 1.5367 H 1 UNL1111111111 0.1474 77 H 7.4143 -1.3186 2.4414 H 1 UNL1111111111 0.1675 78 H 7.5664 0.2754 1.7117 H 1 UNL1111111111 0.1549 @BOND 1 1 23 1 2 1 70 1 3 2 27 1 4 2 29 1 5 3 27 2 6 3 28 1 7 4 5 1 8 4 9 1 9 4 10 1 10 4 18 1 11 5 6 1 12 5 13 1 13 5 32 1 14 6 7 1 15 6 14 1 16 6 33 1 17 7 8 1 18 7 12 1 19 7 34 1 20 8 11 1 21 8 17 1 22 8 21 1 23 9 15 1 24 9 19 1 25 9 35 1 26 10 12 1 27 10 36 1 28 10 37 1 29 11 16 1 30 11 20 1 31 11 38 1 32 12 39 1 33 12 40 1 34 13 15 1 35 13 41 1 36 13 42 1 37 14 16 1 38 14 43 1 39 14 44 1 40 15 45 1 41 15 46 1 42 16 47 1 43 16 48 1 44 17 22 1 45 17 49 1 46 17 50 1 47 18 51 1 48 18 52 1 49 18 53 1 50 19 24 1 51 19 25 1 52 19 54 1 53 20 23 1 54 20 55 1 55 20 56 1 56 21 57 1 57 21 58 1 58 21 59 1 59 22 23 1 60 22 60 1 61 22 61 1 62 23 62 1 63 24 26 1 64 24 63 1 65 24 64 1 66 25 65 1 67 25 66 1 68 25 67 1 69 26 27 1 70 26 68 1 71 26 69 1 72 28 29 1 73 28 30 1 74 28 31 1 75 29 71 1 76 29 72 1 77 30 73 1 78 30 74 1 79 30 75 1 80 31 76 1 81 31 77 1 82 31 78 1