@MOLECULE 1-(2-{3-methoxy-4-[(~11~c)methyloxy]phenyl}ethyl)-4-(3-phenylpropyl)piperazine 59 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 6.6627 1.7505 1.0318 O.3 1 UNL1 -0.2724 2 O 7.8626 -0.5130 1.1494 O.3 1 UNL1 -0.2736 3 N -2.3916 0.3982 -0.9651 N.3 1 UNL1 -0.4259 4 N 0.3888 -0.3638 -0.8845 N.3 1 UNL1 -0.4276 5 C -1.9886 -1.0178 -0.7865 C.3 1 UNL1 -0.1227 6 C -1.3817 1.0885 -1.8054 C.3 1 UNL1 -0.1263 7 C -0.6266 -1.0578 -0.0552 C.3 1 UNL1 -0.1219 8 C -0.0177 1.0510 -1.0755 C.3 1 UNL1 -0.1199 9 C -3.7453 0.5085 -1.5612 C.3 1 UNL1 -0.1161 10 C 1.7307 -0.4533 -0.2570 C.3 1 UNL1 -0.1062 11 C -4.7860 0.2253 -0.4628 C.3 1 UNL1 -0.2652 12 C 2.8052 -0.2171 -1.3411 C.3 1 UNL1 -0.2870 13 C -6.2004 0.4701 -1.0033 C.3 1 UNL1 -0.2950 14 C 4.1557 -0.3300 -0.7103 C.ar 1 UNL1 0.0152 15 C -7.2011 0.1408 0.0613 C.ar 1 UNL1 0.0258 16 C 4.7509 0.8135 -0.1593 C.ar 1 UNL1 -0.2752 17 C 4.8017 -1.5559 -0.6394 C.ar 1 UNL1 -0.1808 18 C -7.7508 -1.1406 0.1338 C.ar 1 UNL1 -0.1817 19 C -7.5705 1.1088 0.9979 C.ar 1 UNL1 -0.1791 20 C 5.9891 0.7179 0.4558 C.ar 1 UNL1 0.1609 21 C 6.0512 -1.6614 -0.0210 C.ar 1 UNL1 -0.2313 22 C 6.6509 -0.5360 0.5267 C.ar 1 UNL1 0.1311 23 C -8.6677 -1.4488 1.1362 C.ar 1 UNL1 -0.1361 24 C -8.4857 0.7967 1.9997 C.ar 1 UNL1 -0.1359 25 C -9.0374 -0.4817 2.0694 C.ar 1 UNL1 -0.1680 26 C 5.9946 3.0071 0.9861 C.3 1 UNL1 -0.2173 27 C 8.5293 -1.7710 1.2142 C.3 1 UNL1 -0.2167 28 H -2.7517 -1.5315 -0.1627 H 1 UNL1 0.1385 29 H -1.9118 -1.5676 -1.7486 H 1 UNL1 0.1255 30 H -1.2744 0.6333 -2.8128 H 1 UNL1 0.1263 31 H -1.6955 2.1441 -1.9361 H 1 UNL1 0.1329 32 H -0.3142 -2.1156 0.0720 H 1 UNL1 0.1355 33 H -0.7350 -0.6116 0.9561 H 1 UNL1 0.1285 34 H -0.0974 1.6065 -0.1170 H 1 UNL1 0.1274 35 H 0.7436 1.5595 -1.7007 H 1 UNL1 0.1348 36 H -3.8967 -0.1692 -2.4266 H 1 UNL1 0.1146 37 H -3.8855 1.5473 -1.9370 H 1 UNL1 0.1362 38 H 1.8699 0.2601 0.5823 H 1 UNL1 0.1211 39 H 1.8679 -1.4733 0.1662 H 1 UNL1 0.1416 40 H -4.5850 0.8657 0.4168 H 1 UNL1 0.1601 41 H -4.6975 -0.8103 -0.0928 H 1 UNL1 0.1434 42 H 2.6711 -0.9526 -2.1604 H 1 UNL1 0.1638 43 H 2.6667 0.7711 -1.8228 H 1 UNL1 0.1488 44 H -6.3045 1.5296 -1.3348 H 1 UNL1 0.1500 45 H -6.3749 -0.1339 -1.9129 H 1 UNL1 0.1473 46 H 4.2265 1.7613 -0.2256 H 1 UNL1 0.1656 47 H 4.3402 -2.4451 -1.0610 H 1 UNL1 0.1566 48 H -7.4638 -1.8982 -0.5915 H 1 UNL1 0.1513 49 H -7.1396 2.1070 0.9468 H 1 UNL1 0.1531 50 H 6.5349 -2.6332 0.0215 H 1 UNL1 0.1604 51 H -9.0968 -2.4467 1.1910 H 1 UNL1 0.1462 52 H -8.7708 1.5520 2.7290 H 1 UNL1 0.1469 53 H -9.7542 -0.7236 2.8503 H 1 UNL1 0.1482 54 H 5.8715 3.3443 -0.0491 H 1 UNL1 0.1348 55 H 5.0380 2.9681 1.5151 H 1 UNL1 0.1355 56 H 6.6922 3.6661 1.5161 H 1 UNL1 0.1527 57 H 9.4643 -1.5165 1.7272 H 1 UNL1 0.1530 58 H 8.7409 -2.1537 0.2110 H 1 UNL1 0.1344 59 H 7.9525 -2.4849 1.8076 H 1 UNL1 0.1339 @BOND 1 30 6 1 2 36 9 1 3 42 12 1 4 37 9 1 5 31 6 1 6 45 13 1 7 43 12 1 8 6 8 1 9 6 3 1 10 29 5 1 11 35 8 1 12 9 3 1 13 9 11 1 14 12 14 1 15 12 10 1 16 44 13 1 17 8 4 1 18 8 34 1 19 47 17 1 20 13 11 1 21 13 15 1 22 3 5 1 23 4 10 1 24 4 7 1 25 5 28 1 26 5 7 1 27 14 17 ar 28 14 16 ar 29 17 21 ar 30 48 18 1 31 11 41 1 32 11 40 1 33 10 39 1 34 10 38 1 35 46 16 1 36 16 20 ar 37 7 32 1 38 7 33 1 39 54 26 1 40 21 50 1 41 21 22 ar 42 15 18 ar 43 15 19 ar 44 18 23 ar 45 58 27 1 46 20 22 ar 47 20 1 1 48 22 2 1 49 49 19 1 50 26 1 1 51 26 55 1 52 26 56 1 53 19 24 ar 54 23 51 1 55 23 25 ar 56 2 27 1 57 27 57 1 58 27 59 1 59 24 25 ar 60 24 52 1 61 25 53 1