@MOLECULE (3alpha,5beta,7alpha)-cholestane-3,7,26-triol 78 81 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9351 1.6849 1.9106 O.3 1 UNL1111111111 -0.5650 2 O 4.8280 3.2878 -1.6484 O.3 1 UNL1111111111 -0.5762 3 O -6.1488 2.5712 1.1091 O.3 1 UNL1111111111 -0.5464 4 C 0.3672 -0.4042 0.9378 C.3 1 UNL1111111111 -0.1252 5 C -0.2693 -1.4814 0.0073 C.3 1 UNL1111111111 0.0670 6 C 1.8715 -0.6138 1.0986 C.3 1 UNL1111111111 -0.1900 7 C 2.5171 -0.4492 -0.2982 C.3 1 UNL1111111111 -0.1256 8 C 4.0544 -0.6175 -0.2116 C.3 1 UNL1111111111 0.0641 9 C -1.7751 -1.0998 0.1406 C.3 1 UNL1111111111 -0.1398 10 C 4.6378 0.4577 0.7476 C.3 1 UNL1111111111 -0.1142 11 C 0.3452 -1.2764 -1.3837 C.3 1 UNL1111111111 -0.2970 12 C 1.8769 -1.4141 -1.3167 C.3 1 UNL1111111111 -0.2787 13 C -0.5105 -0.4425 2.1953 C.3 1 UNL1111111111 -0.2800 14 C 2.4434 0.3880 2.1174 C.3 1 UNL1111111111 0.1553 15 C -1.9252 -0.7448 1.6503 C.3 1 UNL1111111111 -0.2764 16 C 3.9790 0.4001 2.1355 C.3 1 UNL1111111111 -0.3495 17 C 4.7279 -0.4557 -1.5976 C.3 1 UNL1111111111 -0.2905 18 C -0.0295 -2.9167 0.4889 C.3 1 UNL1111111111 -0.4571 19 C -2.8026 -2.1567 -0.2976 C.3 1 UNL1111111111 -0.0930 20 C 4.5313 1.8785 0.1732 C.3 1 UNL1111111111 -0.3087 21 C 4.4435 -2.0157 0.3050 C.3 1 UNL1111111111 -0.4668 22 C 4.5507 0.9443 -2.1827 C.3 1 UNL1111111111 -0.3379 23 C 5.1574 1.9733 -1.2221 C.3 1 UNL1111111111 0.1673 24 C -4.2455 -1.6948 0.0086 C.3 1 UNL1111111111 -0.2841 25 C -2.6699 -2.4892 -1.7893 C.3 1 UNL1111111111 -0.4526 26 C -4.6423 -0.4060 -0.7217 C.3 1 UNL1111111111 -0.2678 27 C -6.0372 0.0522 -0.2788 C.3 1 UNL1111111111 -0.2853 28 C -6.4253 1.3928 -0.9258 C.3 1 UNL1111111111 -0.0965 29 C -5.6919 2.5582 -0.2368 C.3 1 UNL1111111111 -0.0153 30 C -7.9382 1.6102 -0.8278 C.3 1 UNL1111111111 -0.4475 31 H 0.2180 0.6014 0.4634 H 1 UNL1111111111 0.1464 32 H 2.0703 -1.6414 1.4815 H 1 UNL1111111111 0.1470 33 H 2.3070 0.5906 -0.6525 H 1 UNL1111111111 0.1392 34 H -1.9447 -0.1791 -0.4643 H 1 UNL1111111111 0.1348 35 H 5.7263 0.2306 0.8792 H 1 UNL1111111111 0.1335 36 H -0.0587 -2.0097 -2.1036 H 1 UNL1111111111 0.1382 37 H 0.0712 -0.2819 -1.7801 H 1 UNL1111111111 0.1374 38 H 2.2951 -1.2234 -2.3227 H 1 UNL1111111111 0.1330 39 H 2.1432 -2.4576 -1.0687 H 1 UNL1111111111 0.1393 40 H -0.4733 0.5143 2.7397 H 1 UNL1111111111 0.1471 41 H -0.1783 -1.2179 2.9004 H 1 UNL1111111111 0.1301 42 H 2.0462 0.1656 3.1388 H 1 UNL1111111111 0.1365 43 H -2.3817 -1.5759 2.2086 H 1 UNL1111111111 0.1328 44 H -2.5932 0.1207 1.7752 H 1 UNL1111111111 0.1361 45 H 4.3155 1.2658 2.7414 H 1 UNL1111111111 0.1576 46 H 4.3371 -0.4976 2.6740 H 1 UNL1111111111 0.1448 47 H 5.8081 -0.6832 -1.5040 H 1 UNL1111111111 0.1382 48 H 4.3322 -1.2126 -2.2996 H 1 UNL1111111111 0.1419 49 H 1.0370 -3.1413 0.5919 H 1 UNL1111111111 0.1425 50 H -0.4470 -3.6441 -0.2148 H 1 UNL1111111111 0.1413 51 H -0.4936 -3.0912 1.4658 H 1 UNL1111111111 0.1476 52 H -2.6249 -3.0929 0.2870 H 1 UNL1111111111 0.1314 53 H 5.0227 2.6050 0.8496 H 1 UNL1111111111 0.1548 54 H 3.4758 2.2158 0.1089 H 1 UNL1111111111 0.1494 55 H 4.0053 -2.2245 1.2862 H 1 UNL1111111111 0.1492 56 H 4.1025 -2.8020 -0.3765 H 1 UNL1111111111 0.1454 57 H 5.5287 -2.1174 0.4064 H 1 UNL1111111111 0.1424 58 H 5.0273 1.0098 -3.1765 H 1 UNL1111111111 0.1360 59 H 3.4791 1.1695 -2.3480 H 1 UNL1111111111 0.1588 60 H 6.2652 1.8972 -1.1845 H 1 UNL1111111111 0.1120 61 H -4.9486 -2.5051 -0.2615 H 1 UNL1111111111 0.1331 62 H -4.3641 -1.5539 1.0996 H 1 UNL1111111111 0.1386 63 H 2.2239 2.0475 1.0448 H 1 UNL1111111111 0.3161 64 H -1.7620 -3.0681 -1.9890 H 1 UNL1111111111 0.1395 65 H -2.6285 -1.5828 -2.4021 H 1 UNL1111111111 0.1444 66 H -3.5191 -3.0861 -2.1393 H 1 UNL1111111111 0.1421 67 H -4.6230 -0.5669 -1.8150 H 1 UNL1111111111 0.1332 68 H -3.9009 0.3886 -0.5147 H 1 UNL1111111111 0.1378 69 H 5.0682 3.4292 -2.5805 H 1 UNL1111111111 0.3145 70 H -6.7836 -0.7213 -0.5349 H 1 UNL1111111111 0.1348 71 H -6.0777 0.1543 0.8246 H 1 UNL1111111111 0.1594 72 H -6.1285 1.3822 -2.0020 H 1 UNL1111111111 0.1295 73 H -5.9476 3.5273 -0.6990 H 1 UNL1111111111 0.1087 74 H -4.5976 2.4153 -0.2462 H 1 UNL1111111111 0.1124 75 H -8.4947 0.8010 -1.3097 H 1 UNL1111111111 0.1380 76 H -8.2556 1.6572 0.2237 H 1 UNL1111111111 0.1637 77 H -8.2407 2.5515 -1.2973 H 1 UNL1111111111 0.1388 78 H -5.6321 3.2118 1.6316 H 1 UNL1111111111 0.3046 @BOND 1 1 14 1 2 1 63 1 3 2 23 1 4 2 69 1 5 3 29 1 6 3 78 1 7 4 5 1 8 4 6 1 9 4 13 1 10 4 31 1 11 5 9 1 12 5 11 1 13 5 18 1 14 6 7 1 15 6 14 1 16 6 32 1 17 7 8 1 18 7 12 1 19 7 33 1 20 8 10 1 21 8 17 1 22 8 21 1 23 9 15 1 24 9 19 1 25 9 34 1 26 10 16 1 27 10 20 1 28 10 35 1 29 11 12 1 30 11 36 1 31 11 37 1 32 12 38 1 33 12 39 1 34 13 15 1 35 13 40 1 36 13 41 1 37 14 16 1 38 14 42 1 39 15 43 1 40 15 44 1 41 16 45 1 42 16 46 1 43 17 22 1 44 17 47 1 45 17 48 1 46 18 49 1 47 18 50 1 48 18 51 1 49 19 24 1 50 19 25 1 51 19 52 1 52 20 23 1 53 20 53 1 54 20 54 1 55 21 55 1 56 21 56 1 57 21 57 1 58 22 23 1 59 22 58 1 60 22 59 1 61 23 60 1 62 24 26 1 63 24 61 1 64 24 62 1 65 25 64 1 66 25 65 1 67 25 66 1 68 26 27 1 69 26 67 1 70 26 68 1 71 27 28 1 72 27 70 1 73 27 71 1 74 28 29 1 75 28 30 1 76 28 72 1 77 29 73 1 78 29 74 1 79 30 75 1 80 30 76 1 81 30 77 1