@MOLECULE (3beta,16alpha,17beta)-16-hydroxy-17-{(1s)-1-[(2r,5s)-5-methyl-2-piperidinyl]ethyl}androst-5-en-3-yl beta-d-glucopyranoside 96 101 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.8598 -1.3004 0.7918 O.3 1 UNL1 -0.4128 2 C 4.9206 0.0750 0.5858 C.3 1 UNL1 0.3011 3 C 6.2348 0.5206 1.2712 C.3 1 UNL1 0.0328 4 O 5.8342 0.7968 2.5995 O.3 1 UNL1 -0.5493 5 C 6.8244 1.8135 0.6701 C.3 1 UNL1 0.0432 6 O 8.1591 1.9257 1.0969 O.3 1 UNL1 -0.5462 7 C 6.7538 1.8140 -0.8690 C.3 1 UNL1 0.0424 8 O 7.6264 0.8192 -1.3524 O.3 1 UNL1 -0.5468 9 C 5.3092 1.5079 -1.2949 C.3 1 UNL1 0.0123 10 O 5.0130 0.2030 -0.8375 O.3 1 UNL1 -0.4852 11 C 5.1698 1.3982 -2.8218 C.3 1 UNL1 -0.0096 12 O 3.8098 1.2379 -3.1552 O.3 1 UNL1 -0.5373 13 C 2.6907 -1.4490 1.9157 C.3 1 UNL1 -0.3288 14 C 3.5872 -1.9327 0.7677 C.3 1 UNL1 0.1511 15 C 2.9065 -1.8113 -0.6024 C.3 1 UNL1 -0.3414 16 C 1.6633 -0.4038 1.4743 C.3 1 UNL1 -0.2869 17 C 0.7344 -0.9201 0.3425 C.3 1 UNL1 0.0641 18 C 1.4366 -2.0203 -0.4210 C.2 1 UNL1 -0.0216 19 C 0.8263 -3.1223 -0.8701 C.2 1 UNL1 -0.1950 20 C -0.6172 -3.4255 -0.6398 C.3 1 UNL1 -0.2873 21 C -0.5767 -1.4984 0.9460 C.3 1 UNL1 -0.1308 22 C -1.3927 -2.1783 -0.1773 C.3 1 UNL1 -0.1172 23 C -2.6663 -0.0451 0.9158 C.3 1 UNL1 -0.2924 24 C -1.4222 -0.4606 1.7025 C.3 1 UNL1 -0.2754 25 C -3.6162 -1.2332 0.6747 C.3 1 UNL1 0.0723 26 C -2.8056 -2.5275 0.3206 C.3 1 UNL1 -0.1333 27 C -3.6236 -3.2742 -0.7487 C.3 1 UNL1 -0.3591 28 C -4.8227 -2.3894 -1.1271 C.3 1 UNL1 0.1684 29 C -4.5119 -0.9780 -0.5720 C.3 1 UNL1 -0.2188 30 C 0.4463 0.2363 -0.6319 C.3 1 UNL1 -0.4577 31 C -4.4392 -1.4985 1.9425 C.3 1 UNL1 -0.4601 32 O -6.0088 -2.9374 -0.6053 O.3 1 UNL1 -0.5635 33 C -5.8019 -0.1626 -0.3775 C.3 1 UNL1 -0.0936 34 C -6.5799 -0.0923 -1.6984 C.3 1 UNL1 -0.4458 35 C -5.5204 1.2669 0.1699 C.3 1 UNL1 0.0400 36 N -6.8380 1.8634 0.5302 N.3 1 UNL1 -0.5618 37 C -6.9059 3.3155 0.2784 C.3 1 UNL1 -0.1096 38 C -5.5992 4.0556 0.6483 C.3 1 UNL1 -0.1231 39 C -4.4285 3.5144 -0.1987 C.3 1 UNL1 -0.2832 40 C -4.7652 2.1572 -0.8318 C.3 1 UNL1 -0.2920 41 C -5.7771 5.5604 0.4425 C.3 1 UNL1 -0.4570 42 H 4.0280 0.6257 0.9428 H 1 UNL1 0.1377 43 H 6.9803 -0.3055 1.2801 H 1 UNL1 0.1545 44 H 6.6153 1.0820 3.1245 H 1 UNL1 0.3336 45 H 6.3350 2.7132 1.1114 H 1 UNL1 0.1623 46 H 8.7515 1.4113 0.4973 H 1 UNL1 0.3380 47 H 7.1590 2.7530 -1.3021 H 1 UNL1 0.1624 48 H 7.2012 -0.0699 -1.2557 H 1 UNL1 0.3404 49 H 4.5791 2.2348 -0.8790 H 1 UNL1 0.1440 50 H 5.7555 0.5532 -3.2284 H 1 UNL1 0.1396 51 H 5.4601 2.3352 -3.3305 H 1 UNL1 0.1485 52 H 3.4655 0.4121 -2.7470 H 1 UNL1 0.3229 53 H 3.3256 -1.0420 2.7300 H 1 UNL1 0.1648 54 H 2.1649 -2.3194 2.3551 H 1 UNL1 0.1514 55 H 3.9237 -2.9847 0.9511 H 1 UNL1 0.1442 56 H 3.3537 -2.5286 -1.3164 H 1 UNL1 0.1541 57 H 3.0993 -0.8124 -1.0464 H 1 UNL1 0.1689 58 H 2.1836 0.5139 1.1401 H 1 UNL1 0.1371 59 H 1.0645 -0.0876 2.3488 H 1 UNL1 0.1424 60 H 1.3667 -3.8900 -1.4203 H 1 UNL1 0.1450 61 H -0.7052 -4.2324 0.1181 H 1 UNL1 0.1487 62 H -1.0691 -3.8369 -1.5651 H 1 UNL1 0.1453 63 H -0.2726 -2.2878 1.6778 H 1 UNL1 0.1358 64 H -1.4872 -1.4816 -1.0440 H 1 UNL1 0.1463 65 H -3.1930 0.7628 1.4597 H 1 UNL1 0.1377 66 H -2.3567 0.4015 -0.0487 H 1 UNL1 0.1426 67 H -0.8228 0.4381 1.9405 H 1 UNL1 0.1376 68 H -1.7250 -0.8786 2.6816 H 1 UNL1 0.1345 69 H -2.7071 -3.1604 1.2291 H 1 UNL1 0.1362 70 H -3.9761 -4.2503 -0.3729 H 1 UNL1 0.1544 71 H -3.0245 -3.5031 -1.6447 H 1 UNL1 0.1482 72 H -5.0340 -2.3846 -2.2164 H 1 UNL1 0.1366 73 H -3.8864 -0.4563 -1.3373 H 1 UNL1 0.1467 74 H 1.3690 0.6500 -1.0515 H 1 UNL1 0.1422 75 H -0.0895 1.0518 -0.1358 H 1 UNL1 0.1504 76 H -0.1647 -0.0985 -1.4789 H 1 UNL1 0.1530 77 H -3.7859 -1.6891 2.8028 H 1 UNL1 0.1498 78 H -5.0905 -2.3724 1.8293 H 1 UNL1 0.1368 79 H -5.0745 -0.6461 2.2038 H 1 UNL1 0.1455 80 H -6.0131 -2.9061 0.3726 H 1 UNL1 0.3146 81 H -6.4546 -0.6797 0.3696 H 1 UNL1 0.1438 82 H -5.9532 0.2228 -2.5350 H 1 UNL1 0.1316 83 H -7.4114 0.6222 -1.6092 H 1 UNL1 0.1649 84 H -7.0193 -1.0670 -1.9448 H 1 UNL1 0.1550 85 H -4.8903 1.1745 1.0945 H 1 UNL1 0.1116 86 H -7.0624 1.6532 1.4999 H 1 UNL1 0.2485 87 H -7.7662 3.7361 0.8382 H 1 UNL1 0.1286 88 H -7.1341 3.4611 -0.8010 H 1 UNL1 0.1459 89 H -5.3804 3.8629 1.7251 H 1 UNL1 0.1290 90 H -3.5265 3.4264 0.4331 H 1 UNL1 0.1318 91 H -4.1632 4.2318 -0.9966 H 1 UNL1 0.1390 92 H -5.3797 2.3027 -1.7410 H 1 UNL1 0.1546 93 H -3.8419 1.6547 -1.1699 H 1 UNL1 0.1389 94 H -6.0348 5.7981 -0.5958 H 1 UNL1 0.1476 95 H -4.8594 6.1069 0.6875 H 1 UNL1 0.1454 96 H -6.5751 5.9606 1.0776 H 1 UNL1 0.1441 @BOND 1 51 11 1 2 50 11 1 3 12 11 1 4 12 52 1 5 11 9 1 6 82 34 1 7 72 28 1 8 84 34 1 9 92 40 1 10 34 83 1 11 34 33 1 12 71 27 1 13 62 20 1 14 76 30 1 15 60 19 1 16 8 48 1 17 8 7 1 18 73 29 1 19 56 15 1 20 47 7 1 21 9 49 1 22 9 7 1 23 9 10 1 24 93 40 1 25 28 27 1 26 28 32 1 27 28 29 1 28 74 30 1 29 57 15 1 30 64 22 1 31 91 39 1 32 19 20 1 33 19 18 2 34 7 5 1 35 10 2 1 36 40 39 1 37 40 35 1 38 88 37 1 39 27 70 1 40 27 26 1 41 20 22 1 42 20 61 1 43 30 75 1 44 30 17 1 45 32 80 1 46 15 18 1 47 15 14 1 48 94 41 1 49 29 33 1 50 29 25 1 51 18 17 1 52 33 35 1 53 33 81 1 54 39 90 1 55 39 38 1 56 22 26 1 57 22 21 1 58 66 23 1 59 35 36 1 60 35 85 1 61 37 36 1 62 37 38 1 63 37 87 1 64 26 25 1 65 26 69 1 66 17 21 1 67 17 16 1 68 41 38 1 69 41 95 1 70 41 96 1 71 46 6 1 72 36 86 1 73 2 1 1 74 2 42 1 75 2 3 1 76 38 89 1 77 5 6 1 78 5 45 1 79 5 3 1 80 25 23 1 81 25 31 1 82 14 1 1 83 14 55 1 84 14 13 1 85 23 65 1 86 23 24 1 87 21 63 1 88 21 24 1 89 58 16 1 90 3 43 1 91 3 4 1 92 16 13 1 93 16 59 1 94 24 67 1 95 24 68 1 96 78 31 1 97 13 54 1 98 13 53 1 99 31 79 1 100 31 77 1 101 4 44 1