@MOLECULE 1,4-piperazinediylbis[(1-hexyl-3-piperidinyl)methanone] 86 88 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8847 -2.7057 1.1373 O.2 1 UNL1 -0.5329 2 O 1.2889 1.3635 -2.5519 O.2 1 UNL1 -0.5410 3 N -5.2172 -1.8563 0.1985 N.3 1 UNL1 -0.4249 4 N 4.7350 2.0217 0.1317 N.3 1 UNL1 -0.4244 5 N -1.7188 -0.9286 -0.2379 N.am 1 UNL1 -0.4971 6 N 0.9749 -0.3376 -1.1088 N.am 1 UNL1 -0.4819 7 C -3.2101 -2.8544 -0.8666 C.3 1 UNL1 -0.1984 8 C 2.3800 1.6408 -0.4473 C.3 1 UNL1 -0.1994 9 C -4.4595 -1.9651 -1.0674 C.3 1 UNL1 -0.1043 10 C 3.8450 1.3283 -0.8299 C.3 1 UNL1 -0.1086 11 C -3.6264 -4.2330 -0.3267 C.3 1 UNL1 -0.2509 12 C 2.1242 3.1514 -0.5365 C.3 1 UNL1 -0.2609 13 C -4.5194 -4.0941 0.9100 C.3 1 UNL1 -0.2763 14 C 3.1094 3.8684 0.3902 C.3 1 UNL1 -0.2715 15 C -5.7243 -3.1834 0.6188 C.3 1 UNL1 -0.1095 16 C 4.5595 3.4942 0.0292 C.3 1 UNL1 -0.1129 17 C -2.2230 -2.1998 0.0878 C.2 1 UNL1 0.5916 18 C 1.4827 0.9226 -1.4350 C.2 1 UNL1 0.5530 19 C -1.4515 -0.5409 -1.6280 C.3 1 UNL1 -0.1099 20 C -0.7339 -0.3564 0.6958 C.3 1 UNL1 -0.1037 21 C -0.0037 -0.9180 -2.0442 C.3 1 UNL1 -0.1104 22 C 0.7108 -0.7374 0.2802 C.3 1 UNL1 -0.1162 23 C -6.3055 -0.8552 0.0884 C.3 1 UNL1 -0.1147 24 C 6.1564 1.6541 -0.0940 C.3 1 UNL1 -0.1182 25 C -5.6962 0.5413 0.3258 C.3 1 UNL1 -0.2749 26 C 6.4020 0.2208 0.4154 C.3 1 UNL1 -0.2791 27 C -6.8004 1.5909 0.4805 C.3 1 UNL1 -0.2762 28 C 7.9063 -0.0518 0.5173 C.3 1 UNL1 -0.2780 29 C -6.1919 2.9570 0.8234 C.3 1 UNL1 -0.2678 30 C 8.1647 -1.5114 0.9120 C.3 1 UNL1 -0.2682 31 C -7.2907 4.0053 1.0413 C.3 1 UNL1 -0.2538 32 C 9.6685 -1.7754 1.0674 C.3 1 UNL1 -0.2520 33 C -6.6866 5.3518 1.4397 C.3 1 UNL1 -0.4411 34 C 9.9321 -3.2469 1.3865 C.3 1 UNL1 -0.4410 35 H -2.7094 -2.9982 -1.8556 H 1 UNL1 0.1467 36 H 2.2117 1.3094 0.6057 H 1 UNL1 0.1682 37 H -4.1510 -0.9392 -1.3700 H 1 UNL1 0.1468 38 H -5.0693 -2.3834 -1.8983 H 1 UNL1 0.1151 39 H 4.0240 0.2334 -0.7528 H 1 UNL1 0.1458 40 H 4.0312 1.6191 -1.8868 H 1 UNL1 0.1319 41 H -2.7245 -4.8228 -0.0660 H 1 UNL1 0.1511 42 H -4.1545 -4.7966 -1.1173 H 1 UNL1 0.1320 43 H 1.0816 3.3883 -0.2598 H 1 UNL1 0.1381 44 H 2.2433 3.4982 -1.5832 H 1 UNL1 0.1614 45 H -3.9250 -3.6575 1.7448 H 1 UNL1 0.1802 46 H -4.8632 -5.0828 1.2561 H 1 UNL1 0.1316 47 H 2.9102 3.5910 1.4439 H 1 UNL1 0.1495 48 H 2.9791 4.9627 0.3244 H 1 UNL1 0.1340 49 H -6.3907 -3.6507 -0.1357 H 1 UNL1 0.1070 50 H -6.3180 -3.0499 1.5493 H 1 UNL1 0.1359 51 H 4.8124 3.8851 -0.9790 H 1 UNL1 0.1158 52 H 5.2530 3.9734 0.7537 H 1 UNL1 0.1326 53 H -1.5896 0.5643 -1.7125 H 1 UNL1 0.1639 54 H -2.1812 -0.9986 -2.3237 H 1 UNL1 0.1410 55 H -0.9421 -0.7165 1.7306 H 1 UNL1 0.1764 56 H -0.8664 0.7473 0.7024 H 1 UNL1 0.1472 57 H 0.1320 -2.0207 -2.0485 H 1 UNL1 0.1450 58 H 0.2021 -0.5604 -3.0811 H 1 UNL1 0.1751 59 H 1.4521 -0.2911 0.9747 H 1 UNL1 0.1510 60 H 0.8454 -1.8433 0.3550 H 1 UNL1 0.1651 61 H -7.0656 -1.0585 0.8739 H 1 UNL1 0.1356 62 H -6.8360 -0.8909 -0.8845 H 1 UNL1 0.1102 63 H 6.7924 2.3594 0.4854 H 1 UNL1 0.1355 64 H 6.4634 1.7434 -1.1568 H 1 UNL1 0.1153 65 H -5.0151 0.8144 -0.4992 H 1 UNL1 0.1383 66 H -5.0579 0.5056 1.2325 H 1 UNL1 0.1627 67 H 5.9243 -0.5162 -0.2552 H 1 UNL1 0.1400 68 H 5.9155 0.0925 1.4025 H 1 UNL1 0.1564 69 H -7.5079 1.2860 1.2742 H 1 UNL1 0.1356 70 H -7.3955 1.6613 -0.4483 H 1 UNL1 0.1319 71 H 8.3653 0.6270 1.2604 H 1 UNL1 0.1367 72 H 8.4013 0.1697 -0.4468 H 1 UNL1 0.1358 73 H -5.5104 3.2837 0.0163 H 1 UNL1 0.1366 74 H -5.5658 2.8723 1.7320 H 1 UNL1 0.1400 75 H 7.7382 -2.1911 0.1511 H 1 UNL1 0.1373 76 H 7.6410 -1.7480 1.8568 H 1 UNL1 0.1375 77 H -7.9928 3.6608 1.8240 H 1 UNL1 0.1336 78 H -7.8946 4.1191 0.1220 H 1 UNL1 0.1321 79 H 10.0849 -1.1337 1.8666 H 1 UNL1 0.1331 80 H 10.2015 -1.4891 0.1412 H 1 UNL1 0.1333 81 H -6.0982 5.2696 2.3602 H 1 UNL1 0.1426 82 H -7.4666 6.1009 1.6137 H 1 UNL1 0.1395 83 H -6.0238 5.7406 0.6589 H 1 UNL1 0.1419 84 H 9.4253 -3.5543 2.3078 H 1 UNL1 0.1428 85 H 11.0020 -3.4410 1.5188 H 1 UNL1 0.1400 86 H 9.5773 -3.8999 0.5816 H 1 UNL1 0.1424 @BOND 1 58 21 1 2 2 18 2 3 54 19 1 4 57 21 1 5 21 19 1 6 21 6 1 7 38 9 1 8 40 10 1 9 35 7 1 10 53 19 1 11 19 5 1 12 44 12 1 13 18 6 am 14 18 8 1 15 37 9 1 16 64 24 1 17 42 11 1 18 6 22 1 19 9 7 1 20 9 3 1 21 51 16 1 22 62 23 1 23 7 11 1 24 7 17 1 25 10 39 1 26 10 8 1 27 10 4 1 28 12 8 1 29 12 43 1 30 12 14 1 31 65 25 1 32 70 27 1 33 8 36 1 34 72 28 1 35 11 41 1 36 11 13 1 37 67 26 1 38 5 17 am 39 5 20 1 40 49 15 1 41 24 4 1 42 24 26 1 43 24 63 1 44 73 29 1 45 16 4 1 46 16 14 1 47 16 52 1 48 17 1 2 49 23 3 1 50 23 25 1 51 23 61 1 52 78 31 1 53 80 32 1 54 75 30 1 55 3 15 1 56 22 60 1 57 22 20 1 58 22 59 1 59 48 14 1 60 25 27 1 61 25 66 1 62 14 47 1 63 26 28 1 64 26 68 1 65 27 29 1 66 27 69 1 67 28 30 1 68 28 71 1 69 86 34 1 70 15 13 1 71 15 50 1 72 83 33 1 73 20 56 1 74 20 55 1 75 29 31 1 76 29 74 1 77 13 46 1 78 13 45 1 79 30 32 1 80 30 76 1 81 31 33 1 82 31 77 1 83 32 34 1 84 32 79 1 85 34 85 1 86 34 84 1 87 33 82 1 88 33 81 1