@MOLECULE 1,3-bis(4-(p-methoxyphenyl)piperazinyl)-2-propanol 68 71 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1409 -6.0443 0.6161 O.3 1 UNL11 -0.5821 2 O -5.0592 4.7085 -0.2576 O.3 1 UNL11 -0.3154 3 O 5.6844 4.2070 0.5063 O.3 1 UNL11 -0.3165 4 N -1.8863 -3.0118 -0.0400 N.3 1 UNL11 -0.4099 5 N 1.4478 -2.9281 -0.2687 N.3 1 UNL11 -0.4333 6 N -3.2937 -0.5347 0.3316 N.pl3 1 UNL11 -0.4186 7 N 3.1016 -0.6126 -0.5099 N.pl3 1 UNL11 -0.4165 8 C -0.0754 -4.6414 0.5285 C.3 1 UNL11 0.1543 9 C -1.5883 -4.4280 0.2789 C.3 1 UNL11 -0.1861 10 C 0.8164 -4.2093 -0.6572 C.3 1 UNL11 -0.1349 11 C -1.5882 -2.1239 1.1118 C.3 1 UNL11 -0.1334 12 C -3.3153 -2.8731 -0.4242 C.3 1 UNL11 -0.1245 13 C 1.1040 -1.8443 -1.2185 C.3 1 UNL11 -0.1252 14 C 2.9186 -3.0411 -0.1383 C.3 1 UNL11 -0.1166 15 C -1.8685 -0.6563 0.7128 C.3 1 UNL11 -0.1072 16 C -3.5842 -1.4062 -0.8345 C.3 1 UNL11 -0.1040 17 C 1.6302 -0.5083 -0.6437 C.3 1 UNL11 -0.1074 18 C 3.4576 -1.7057 0.4311 C.3 1 UNL11 -0.1041 19 C -3.7287 0.8149 0.1168 C.ar 1 UNL11 0.0884 20 C 3.7552 0.6179 -0.1805 C.ar 1 UNL11 0.0950 21 C -5.0853 1.0734 0.3554 C.ar 1 UNL11 -0.1242 22 C 5.1050 0.7225 -0.5464 C.ar 1 UNL11 -0.1310 23 C -2.8709 1.8653 -0.2454 C.ar 1 UNL11 -0.1635 24 C 3.1057 1.7141 0.4084 C.ar 1 UNL11 -0.1715 25 C -5.5886 2.3654 0.2402 C.ar 1 UNL11 -0.2696 26 C 5.8050 1.9052 -0.3330 C.ar 1 UNL11 -0.2649 27 C -3.3589 3.1587 -0.3544 C.ar 1 UNL11 -0.2246 28 C 3.7906 2.9018 0.6177 C.ar 1 UNL11 -0.2208 29 C -4.7193 3.3976 -0.1105 C.ar 1 UNL11 0.2179 30 C 5.1388 2.9866 0.2425 C.ar 1 UNL11 0.2141 31 C -6.4150 5.0553 -0.0166 C.3 1 UNL11 -0.2027 32 C 7.0381 4.4037 0.1259 C.3 1 UNL11 -0.2026 33 H 0.2600 -4.1700 1.4774 H 1 UNL11 0.1322 34 H -1.8891 -5.0507 -0.5949 H 1 UNL11 0.1548 35 H -2.1614 -4.8053 1.1517 H 1 UNL11 0.1151 36 H 0.2048 -4.1154 -1.5787 H 1 UNL11 0.1481 37 H 1.5568 -5.0141 -0.8624 H 1 UNL11 0.1492 38 H -2.1719 -2.3852 2.0184 H 1 UNL11 0.1250 39 H -0.5042 -2.2220 1.3563 H 1 UNL11 0.1625 40 H -3.5133 -3.5371 -1.2916 H 1 UNL11 0.1349 41 H -4.0102 -3.1643 0.3920 H 1 UNL11 0.1258 42 H 1.5234 -2.0091 -2.2328 H 1 UNL11 0.1269 43 H -0.0068 -1.8021 -1.3119 H 1 UNL11 0.1636 44 H 3.1498 -3.8641 0.5704 H 1 UNL11 0.1373 45 H 3.4227 -3.2693 -1.1010 H 1 UNL11 0.1256 46 H -1.1762 -0.3588 -0.1052 H 1 UNL11 0.1267 47 H -1.6777 0.0068 1.5840 H 1 UNL11 0.1440 48 H -2.9678 -1.1418 -1.7211 H 1 UNL11 0.1334 49 H -4.6502 -1.2861 -1.1188 H 1 UNL11 0.1359 50 H 1.1235 -0.2989 0.3237 H 1 UNL11 0.1253 51 H 1.3955 0.3180 -1.3479 H 1 UNL11 0.1416 52 H 4.5613 -1.7576 0.5268 H 1 UNL11 0.1346 53 H 3.0392 -1.5344 1.4467 H 1 UNL11 0.1319 54 H -0.2512 -6.4138 1.4251 H 1 UNL11 0.3141 55 H -5.7427 0.2541 0.6472 H 1 UNL11 0.1642 56 H 5.5996 -0.1275 -1.0163 H 1 UNL11 0.1640 57 H -1.8182 1.6740 -0.4474 H 1 UNL11 0.1625 58 H 2.0625 1.6416 0.7107 H 1 UNL11 0.1617 59 H -6.6401 2.5511 0.4300 H 1 UNL11 0.1615 60 H 6.8485 1.9720 -0.6212 H 1 UNL11 0.1611 61 H -2.7078 3.9868 -0.6259 H 1 UNL11 0.1724 62 H 3.3018 3.7633 1.0671 H 1 UNL11 0.1711 63 H -7.0806 4.5496 -0.7225 H 1 UNL11 0.1327 64 H -6.6944 4.8446 1.0202 H 1 UNL11 0.1337 65 H -6.4130 6.1385 -0.2001 H 1 UNL11 0.1513 66 H 7.7008 3.7296 0.6768 H 1 UNL11 0.1323 67 H 7.1614 4.2938 -0.9558 H 1 UNL11 0.1337 68 H 7.2146 5.4450 0.4278 H 1 UNL11 0.1507 @BOND 1 1 8 1 2 1 54 1 3 2 29 1 4 2 31 1 5 3 30 1 6 3 32 1 7 4 9 1 8 4 11 1 9 4 12 1 10 5 10 1 11 5 13 1 12 5 14 1 13 6 15 1 14 6 16 1 15 6 19 1 16 7 17 1 17 7 18 1 18 7 20 1 19 8 9 1 20 8 10 1 21 8 33 1 22 9 34 1 23 9 35 1 24 10 36 1 25 10 37 1 26 11 15 1 27 11 38 1 28 11 39 1 29 12 16 1 30 12 40 1 31 12 41 1 32 13 17 1 33 13 42 1 34 13 43 1 35 14 18 1 36 14 44 1 37 14 45 1 38 15 46 1 39 15 47 1 40 16 48 1 41 16 49 1 42 17 50 1 43 17 51 1 44 18 52 1 45 18 53 1 46 19 21 ar 47 19 23 ar 48 20 22 ar 49 20 24 ar 50 21 25 ar 51 21 55 1 52 22 26 ar 53 22 56 1 54 23 27 ar 55 23 57 1 56 24 28 ar 57 24 58 1 58 25 29 ar 59 25 59 1 60 26 30 ar 61 26 60 1 62 27 29 ar 63 27 61 1 64 28 30 ar 65 28 62 1 66 31 63 1 67 31 64 1 68 31 65 1 69 32 66 1 70 32 67 1 71 32 68 1