@MOLECULE 2-{4-[3-(5h-dibenzo[b,f]azepin-5-yl)propyl]-1-piperazinyl}ethyl beta-d-glucopyranoside 77 81 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.1175 -0.4557 -0.1957 C.3 1 UNL111111111 0.2603 2 O -5.2933 -1.6293 -0.9444 O.3 1 UNL111111111 -0.3649 3 C -4.7976 0.6366 -1.2394 C.3 1 UNL111111111 0.0455 4 O -3.4176 0.6281 -1.5246 O.3 1 UNL111111111 -0.6105 5 C -5.0704 2.0475 -0.6893 C.3 1 UNL111111111 0.0697 6 O -5.1890 2.9623 -1.7622 O.3 1 UNL111111111 -0.5695 7 C -6.4272 2.1203 0.0313 C.3 1 UNL111111111 0.0726 8 O -6.5056 3.3152 0.7795 O.3 1 UNL111111111 -0.5558 9 C -6.5193 0.9901 1.0746 C.3 1 UNL111111111 0.0451 10 O -6.3906 -0.2532 0.4095 O.3 1 UNL111111111 -0.4622 11 C -7.9171 0.9233 1.7073 C.3 1 UNL111111111 -0.0128 12 O -7.9323 -0.0578 2.7219 O.3 1 UNL111111111 -0.5432 13 C 7.5829 3.5223 -0.3507 C.ar 1 UNL111111111 -0.1595 14 C 6.2978 -3.4297 0.4167 C.ar 1 UNL111111111 -0.1620 15 C 6.9472 3.1656 -1.5412 C.ar 1 UNL111111111 -0.1385 16 C 5.7905 -3.1287 -0.8486 C.ar 1 UNL111111111 -0.1372 17 C 7.2873 2.8480 0.8276 C.ar 1 UNL111111111 -0.1397 18 C 6.3049 -2.4621 1.4135 C.ar 1 UNL111111111 -0.1386 19 C 6.0172 2.1341 -1.5505 C.ar 1 UNL111111111 -0.1579 20 C 5.2901 -1.8606 -1.1136 C.ar 1 UNL111111111 -0.1588 21 C 6.0913 1.1182 2.0980 C.2 1 UNL111111111 -0.1558 22 C 5.8493 -0.1945 2.2422 C.2 1 UNL111111111 -0.1496 23 C 2.4005 -0.2886 -0.2679 C.3 1 UNL111111111 -0.2882 24 C -4.8336 -2.8151 -0.3195 C.3 1 UNL111111111 -0.0452 25 C 1.0356 0.0892 0.3307 C.3 1 UNL111111111 -0.1158 26 C -3.4649 -3.1828 -0.9287 C.3 1 UNL111111111 -0.1615 27 C -1.0851 -0.9281 0.9872 C.3 1 UNL111111111 -0.1241 28 C -0.3832 -1.0121 -1.3326 C.3 1 UNL111111111 -0.1264 29 C -1.9863 -2.1642 0.7550 C.3 1 UNL111111111 -0.1289 30 C -1.3046 -2.2324 -1.5639 C.3 1 UNL111111111 -0.1316 31 C 3.4672 0.7158 0.1935 C.3 1 UNL111111111 -0.0979 32 C 6.3576 1.7989 0.8383 C.ar 1 UNL111111111 -0.0682 33 C 5.8102 -1.1741 1.1650 C.ar 1 UNL111111111 -0.0687 34 C 5.7222 1.4499 -0.3636 C.ar 1 UNL111111111 0.1468 35 C 5.2966 -0.8835 -0.1085 C.ar 1 UNL111111111 0.1554 36 N 0.0814 -1.0195 0.0753 N.3 1 UNL111111111 -0.4200 37 N -2.4703 -2.1229 -0.6472 N.3 1 UNL111111111 -0.4422 38 N 4.7472 0.3941 -0.4927 N.pl3 1 UNL111111111 -0.4382 39 H -4.3458 -0.5416 0.5959 H 1 UNL111111111 0.1259 40 H -5.3369 0.4531 -2.1971 H 1 UNL111111111 0.1653 41 H -3.0202 -0.2688 -1.3487 H 1 UNL111111111 0.3727 42 H -4.2358 2.3937 -0.0366 H 1 UNL111111111 0.1501 43 H -4.4095 2.8748 -2.3550 H 1 UNL111111111 0.3394 44 H -7.2693 2.0973 -0.6952 H 1 UNL111111111 0.1497 45 H -6.3142 4.0811 0.1920 H 1 UNL111111111 0.3376 46 H -5.7343 1.0873 1.8564 H 1 UNL111111111 0.1471 47 H -8.1629 1.8656 2.2347 H 1 UNL111111111 0.1615 48 H -8.6984 0.6853 0.9640 H 1 UNL111111111 0.1302 49 H -7.6299 -0.9138 2.3481 H 1 UNL111111111 0.3222 50 H 8.3125 4.3297 -0.3468 H 1 UNL111111111 0.1524 51 H 6.6893 -4.4242 0.6212 H 1 UNL111111111 0.1518 52 H 7.1811 3.6955 -2.4627 H 1 UNL111111111 0.1522 53 H 5.7870 -3.8885 -1.6279 H 1 UNL111111111 0.1512 54 H 7.7886 3.1288 1.7531 H 1 UNL111111111 0.1543 55 H 6.7063 -2.7007 2.3976 H 1 UNL111111111 0.1535 56 H 5.5118 1.8415 -2.4715 H 1 UNL111111111 0.1724 57 H 4.8899 -1.6085 -2.0959 H 1 UNL111111111 0.1716 58 H 6.1297 1.7648 2.9814 H 1 UNL111111111 0.1578 59 H 5.6896 -0.6117 3.2425 H 1 UNL111111111 0.1579 60 H 2.6717 -1.3185 0.0412 H 1 UNL111111111 0.1651 61 H 2.3620 -0.3140 -1.3729 H 1 UNL111111111 0.1553 62 H -4.8092 -2.7314 0.7772 H 1 UNL111111111 0.1281 63 H -5.6013 -3.5621 -0.6037 H 1 UNL111111111 0.1444 64 H 1.1414 0.2170 1.4310 H 1 UNL111111111 0.1373 65 H 0.6866 1.0619 -0.0756 H 1 UNL111111111 0.1205 66 H -3.1502 -4.1846 -0.5692 H 1 UNL111111111 0.1267 67 H -3.5905 -3.2588 -2.0347 H 1 UNL111111111 0.1569 68 H -1.6754 0.0026 0.8424 H 1 UNL111111111 0.1291 69 H -0.7163 -0.9365 2.0350 H 1 UNL111111111 0.1402 70 H 0.5039 -1.0948 -1.9975 H 1 UNL111111111 0.1468 71 H -0.9152 -0.0740 -1.6074 H 1 UNL111111111 0.1332 72 H -1.4134 -3.0899 0.9816 H 1 UNL111111111 0.1357 73 H -2.8514 -2.1319 1.4470 H 1 UNL111111111 0.1330 74 H -1.6681 -2.2267 -2.6129 H 1 UNL111111111 0.1395 75 H -0.7282 -3.1700 -1.4110 H 1 UNL111111111 0.1351 76 H 3.1795 1.7486 -0.1054 H 1 UNL111111111 0.1459 77 H 3.5625 0.7057 1.3000 H 1 UNL111111111 0.1284 @BOND 1 1 2 1 2 1 3 1 3 1 10 1 4 1 39 1 5 2 24 1 6 3 4 1 7 3 5 1 8 3 40 1 9 4 41 1 10 5 6 1 11 5 7 1 12 5 42 1 13 6 43 1 14 7 8 1 15 7 9 1 16 7 44 1 17 8 45 1 18 9 10 1 19 9 11 1 20 9 46 1 21 11 12 1 22 11 47 1 23 11 48 1 24 12 49 1 25 13 15 ar 26 13 17 ar 27 13 50 1 28 14 16 ar 29 14 18 ar 30 14 51 1 31 15 19 ar 32 15 52 1 33 16 20 ar 34 16 53 1 35 17 32 ar 36 17 54 1 37 18 33 ar 38 18 55 1 39 19 34 ar 40 19 56 1 41 20 35 ar 42 20 57 1 43 21 22 2 44 21 32 1 45 21 58 1 46 22 33 1 47 22 59 1 48 23 25 1 49 23 31 1 50 23 60 1 51 23 61 1 52 24 26 1 53 24 62 1 54 24 63 1 55 25 36 1 56 25 64 1 57 25 65 1 58 26 37 1 59 26 66 1 60 26 67 1 61 27 29 1 62 27 36 1 63 27 68 1 64 27 69 1 65 28 30 1 66 28 36 1 67 28 70 1 68 28 71 1 69 29 37 1 70 29 72 1 71 29 73 1 72 30 37 1 73 30 74 1 74 30 75 1 75 31 38 1 76 31 76 1 77 31 77 1 78 32 34 ar 79 33 35 ar 80 34 38 1 81 35 38 1