@MOLECULE 5beta-cholestane-3alpha,6beta,7alpha,25,26-pentol 80 83 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2673 0.5237 -2.2694 O.3 1 UNL1111 -0.5505 2 O -4.9316 -1.8371 -1.7556 O.3 1 UNL1111 -0.5670 3 O -4.8386 3.9465 -0.1122 O.3 1 UNL1111 -0.5730 4 O 5.4501 1.8174 -1.5442 O.3 1 UNL1111 -0.5858 5 O 7.4803 1.5753 1.3414 O.3 1 UNL1111 -0.5523 6 C -0.5998 -0.8846 -0.6639 C.3 1 UNL1111 -0.1278 7 C -2.1128 -1.0269 -0.4985 C.3 1 UNL1111 -0.1492 8 C 0.1632 -1.2846 0.6339 C.3 1 UNL1111 0.0673 9 C -2.5579 -0.0501 0.6173 C.3 1 UNL1111 -0.1292 10 C -4.0889 -0.1319 0.8363 C.3 1 UNL1111 0.0680 11 C 1.6345 -1.1713 0.1315 C.3 1 UNL1111 -0.1410 12 C -4.8220 0.2444 -0.4809 C.3 1 UNL1111 -0.1743 13 C -0.2443 -0.2677 1.7079 C.3 1 UNL1111 -0.2958 14 C -1.7685 -0.2943 1.9183 C.3 1 UNL1111 -0.2791 15 C -2.8127 -0.7082 -1.8265 C.3 1 UNL1111 0.0838 16 C 0.0908 -1.7042 -1.7617 C.3 1 UNL1111 -0.2801 17 C -4.3464 -0.5565 -1.7065 C.3 1 UNL1111 0.0942 18 C 1.5696 -1.7540 -1.3120 C.3 1 UNL1111 -0.2778 19 C -4.5597 0.8347 1.9553 C.3 1 UNL1111 -0.2869 20 C -0.1445 -2.7121 1.1006 C.3 1 UNL1111 -0.4568 21 C 2.7128 -1.8682 0.9768 C.3 1 UNL1111 -0.0916 22 C -4.6625 1.7345 -0.8259 C.3 1 UNL1111 -0.3178 23 C -4.5220 -1.5393 1.2960 C.3 1 UNL1111 -0.4692 24 C -4.3462 2.3066 1.6079 C.3 1 UNL1111 -0.3389 25 C -5.1252 2.6266 0.3279 C.3 1 UNL1111 0.1703 26 C 4.1060 -1.7382 0.3192 C.3 1 UNL1111 -0.2872 27 C 2.7606 -1.3125 2.4062 C.3 1 UNL1111 -0.4521 28 C 4.5624 -0.2850 0.1448 C.3 1 UNL1111 -0.2559 29 C 6.0065 -0.2312 -0.3643 C.3 1 UNL1111 -0.3411 30 C 6.4356 1.1968 -0.7320 C.3 1 UNL1111 0.3205 31 C 6.4879 2.1370 0.4964 C.3 1 UNL1111 -0.0364 32 C 7.7712 1.1994 -1.4768 C.3 1 UNL1111 -0.5062 33 H -0.3903 0.1991 -0.8749 H 1 UNL1111 0.1615 34 H -2.3660 -2.0737 -0.2147 H 1 UNL1111 0.1396 35 H -2.3184 0.9870 0.2636 H 1 UNL1111 0.1625 36 H 1.8883 -0.0872 0.0701 H 1 UNL1111 0.1402 37 H -5.9106 0.0272 -0.3401 H 1 UNL1111 0.1495 38 H 0.0787 0.7480 1.4129 H 1 UNL1111 0.1410 39 H 0.2628 -0.4805 2.6648 H 1 UNL1111 0.1371 40 H -2.0354 0.4798 2.6627 H 1 UNL1111 0.1334 41 H -2.0607 -1.2620 2.3643 H 1 UNL1111 0.1366 42 H -2.5756 -1.4901 -2.5862 H 1 UNL1111 0.1287 43 H -0.3361 -2.7146 -1.8444 H 1 UNL1111 0.1306 44 H -0.0207 -1.2306 -2.7486 H 1 UNL1111 0.1386 45 H -4.7534 -0.1003 -2.6438 H 1 UNL1111 0.1421 46 H 2.2093 -1.1697 -1.9896 H 1 UNL1111 0.1325 47 H 1.9444 -2.7880 -1.3380 H 1 UNL1111 0.1316 48 H -5.6344 0.6557 2.1556 H 1 UNL1111 0.1380 49 H -4.0427 0.5937 2.9026 H 1 UNL1111 0.1407 50 H 0.1773 -3.4513 0.3591 H 1 UNL1111 0.1465 51 H -1.2148 -2.8655 1.2699 H 1 UNL1111 0.1415 52 H 0.3669 -2.9389 2.0416 H 1 UNL1111 0.1416 53 H 2.4741 -2.9589 1.0338 H 1 UNL1111 0.1303 54 H -5.2329 1.9910 -1.7383 H 1 UNL1111 0.1492 55 H -3.6024 1.9702 -1.0693 H 1 UNL1111 0.1842 56 H -4.1553 -1.7560 2.3063 H 1 UNL1111 0.1506 57 H -5.6137 -1.6330 1.3197 H 1 UNL1111 0.1480 58 H -4.1289 -2.3302 0.6474 H 1 UNL1111 0.1374 59 H -3.2707 2.5257 1.4585 H 1 UNL1111 0.1612 60 H -4.6735 2.9522 2.4409 H 1 UNL1111 0.1338 61 H -6.2234 2.5628 0.4878 H 1 UNL1111 0.1104 62 H 4.8439 -2.2876 0.9349 H 1 UNL1111 0.1351 63 H 4.1008 -2.2469 -0.6624 H 1 UNL1111 0.1328 64 H -2.5782 0.7341 -3.1704 H 1 UNL1111 0.3102 65 H 3.6683 -1.6361 2.9272 H 1 UNL1111 0.1431 66 H 1.9059 -1.6592 2.9968 H 1 UNL1111 0.1400 67 H 2.7487 -0.2174 2.4142 H 1 UNL1111 0.1459 68 H -4.7621 -2.3440 -0.9350 H 1 UNL1111 0.3186 69 H 3.8912 0.2493 -0.5559 H 1 UNL1111 0.1493 70 H 4.4818 0.2558 1.1063 H 1 UNL1111 0.1413 71 H -4.9200 4.5848 0.6170 H 1 UNL1111 0.3118 72 H 6.1263 -0.9002 -1.2351 H 1 UNL1111 0.1388 73 H 6.6971 -0.6174 0.4141 H 1 UNL1111 0.1653 74 H 6.7816 3.1586 0.2020 H 1 UNL1111 0.1266 75 H 5.5210 2.1642 1.0261 H 1 UNL1111 0.1284 76 H 7.9831 2.1909 -1.8949 H 1 UNL1111 0.1595 77 H 7.7886 0.4819 -2.3009 H 1 UNL1111 0.1450 78 H 8.5931 0.9485 -0.7914 H 1 UNL1111 0.1722 79 H 5.2643 1.2826 -2.3365 H 1 UNL1111 0.3235 80 H 7.5949 2.1304 2.1354 H 1 UNL1111 0.3125 @BOND 1 1 15 1 2 1 64 1 3 2 17 1 4 2 68 1 5 3 25 1 6 3 71 1 7 4 30 1 8 4 79 1 9 5 31 1 10 5 80 1 11 6 7 1 12 6 8 1 13 6 16 1 14 6 33 1 15 7 9 1 16 7 15 1 17 7 34 1 18 8 11 1 19 8 13 1 20 8 20 1 21 9 10 1 22 9 14 1 23 9 35 1 24 10 12 1 25 10 19 1 26 10 23 1 27 11 18 1 28 11 21 1 29 11 36 1 30 12 17 1 31 12 22 1 32 12 37 1 33 13 14 1 34 13 38 1 35 13 39 1 36 14 40 1 37 14 41 1 38 15 17 1 39 15 42 1 40 16 18 1 41 16 43 1 42 16 44 1 43 17 45 1 44 18 46 1 45 18 47 1 46 19 24 1 47 19 48 1 48 19 49 1 49 20 50 1 50 20 51 1 51 20 52 1 52 21 26 1 53 21 27 1 54 21 53 1 55 22 25 1 56 22 54 1 57 22 55 1 58 23 56 1 59 23 57 1 60 23 58 1 61 24 25 1 62 24 59 1 63 24 60 1 64 25 61 1 65 26 28 1 66 26 62 1 67 26 63 1 68 27 65 1 69 27 66 1 70 27 67 1 71 28 29 1 72 28 69 1 73 28 70 1 74 29 30 1 75 29 72 1 76 29 73 1 77 30 31 1 78 30 32 1 79 31 74 1 80 31 75 1 81 32 76 1 82 32 77 1 83 32 78 1