@MOLECULE 1-(3-chlorophenyl)-4-{3-[4-(3-methylphenyl)-1-piperazinyl]propyl}piperazine 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 CL -7.9023 2.3023 -0.8564 Cl 1 UNL1111111111 -0.1025 2 N 2.5223 -0.9040 -0.5129 N.3 1 UNL1111111111 -0.4245 3 N -1.2563 -1.5453 -0.4712 N.3 1 UNL1111111111 -0.4283 4 N 4.8866 0.5627 -1.3837 N.pl3 1 UNL1111111111 -0.4116 5 N -3.9472 -0.7353 0.0851 N.pl3 1 UNL1111111111 -0.4270 6 C 1.6216 -1.5581 0.4695 C.3 1 UNL1111111111 -0.1147 7 C -0.1538 -2.2003 -1.2174 C.3 1 UNL1111111111 -0.1145 8 C 0.8929 -2.7300 -0.2175 C.3 1 UNL1111111111 -0.2700 9 C 2.6674 0.5422 -0.2176 C.3 1 UNL1111111111 -0.1537 10 C 3.8496 -1.5655 -0.5402 C.3 1 UNL1111111111 -0.1562 11 C -1.9172 -0.5035 -1.2922 C.3 1 UNL1111111111 -0.1199 12 C -2.2677 -2.5283 -0.0185 C.3 1 UNL1111111111 -0.1213 13 C 3.5480 1.1872 -1.3166 C.3 1 UNL1111111111 -0.0979 14 C 4.7215 -0.8840 -1.6234 C.3 1 UNL1111111111 -0.1062 15 C -2.9428 0.2375 -0.4010 C.3 1 UNL1111111111 -0.0900 16 C -3.3056 -1.8051 0.8764 C.3 1 UNL1111111111 -0.0977 17 C 5.8108 0.9658 -0.3899 C.ar 1 UNL1111111111 0.2320 18 C -5.1624 -0.2079 0.5486 C.ar 1 UNL1111111111 0.2520 19 C 6.6689 0.0587 0.2523 C.ar 1 UNL1111111111 -0.3233 20 C 5.9542 2.3428 -0.1211 C.ar 1 UNL1111111111 -0.2789 21 C -5.8406 0.7305 -0.2607 C.ar 1 UNL1111111111 -0.2963 22 C -5.7838 -0.6595 1.7309 C.ar 1 UNL1111111111 -0.2975 23 C 7.6400 0.5155 1.1448 C.ar 1 UNL1111111111 0.1138 24 C 6.9215 2.7827 0.7713 C.ar 1 UNL1111111111 -0.0680 25 C 7.7653 1.8778 1.4134 C.ar 1 UNL1111111111 -0.2598 26 C -7.0907 1.1636 0.1385 C.ar 1 UNL1111111111 0.1060 27 C -7.0468 -0.1989 2.0863 C.ar 1 UNL1111111111 -0.0506 28 C -7.7232 0.7274 1.2943 C.ar 1 UNL1111111111 -0.2591 29 C 8.5369 -0.4754 1.8098 C.3 1 UNL1111111111 -0.4583 30 H 0.8539 -0.8297 0.8222 H 1 UNL1111111111 0.1605 31 H 2.1567 -1.9143 1.3730 H 1 UNL1111111111 0.1135 32 H 0.3458 -1.4514 -1.8765 H 1 UNL1111111111 0.1601 33 H -0.5065 -3.0195 -1.8761 H 1 UNL1111111111 0.1116 34 H 1.6140 -3.3727 -0.7543 H 1 UNL1111111111 0.1386 35 H 0.4132 -3.3619 0.5508 H 1 UNL1111111111 0.1362 36 H 3.1041 0.7405 0.7832 H 1 UNL1111111111 0.1250 37 H 1.6560 1.0027 -0.2380 H 1 UNL1111111111 0.1475 38 H 3.6999 -2.6339 -0.8022 H 1 UNL1111111111 0.1430 39 H 4.3665 -1.5344 0.4421 H 1 UNL1111111111 0.1237 40 H -2.4242 -0.9146 -2.1909 H 1 UNL1111111111 0.1284 41 H -1.1468 0.2189 -1.6385 H 1 UNL1111111111 0.1432 42 H -1.7598 -3.3151 0.5779 H 1 UNL1111111111 0.1386 43 H -2.7892 -3.0308 -0.8618 H 1 UNL1111111111 0.1282 44 H 3.6318 2.2794 -1.1497 H 1 UNL1111111111 0.1422 45 H 3.0675 1.0507 -2.3135 H 1 UNL1111111111 0.1579 46 H 5.7114 -1.3761 -1.7055 H 1 UNL1111111111 0.1429 47 H 4.2322 -0.9960 -2.6205 H 1 UNL1111111111 0.1598 48 H -3.4335 1.0387 -0.9916 H 1 UNL1111111111 0.1429 49 H -2.4150 0.7242 0.4509 H 1 UNL1111111111 0.1409 50 H -2.8054 -1.4051 1.7858 H 1 UNL1111111111 0.1382 51 H -4.0734 -2.5431 1.1960 H 1 UNL1111111111 0.1424 52 H 6.5937 -1.0067 0.0654 H 1 UNL1111111111 0.1583 53 H 5.3256 3.0674 -0.6303 H 1 UNL1111111111 0.1592 54 H -5.3989 1.0756 -1.1930 H 1 UNL1111111111 0.1804 55 H -5.2798 -1.3635 2.3859 H 1 UNL1111111111 0.1618 56 H 7.0242 3.8494 0.9703 H 1 UNL1111111111 0.1451 57 H 8.5141 2.2342 2.1127 H 1 UNL1111111111 0.1541 58 H -7.5127 -0.5627 3.0032 H 1 UNL1111111111 0.1514 59 H -8.7075 1.0890 1.5780 H 1 UNL1111111111 0.1737 60 H 7.9593 -1.2213 2.3748 H 1 UNL1111111111 0.1593 61 H 9.2361 -0.0073 2.5150 H 1 UNL1111111111 0.1545 62 H 9.1407 -1.0209 1.0695 H 1 UNL1111111111 0.1611 @BOND 1 1 26 1 2 2 6 1 3 2 9 1 4 2 10 1 5 3 7 1 6 3 11 1 7 3 12 1 8 4 13 1 9 4 14 1 10 4 17 1 11 5 15 1 12 5 16 1 13 5 18 1 14 6 8 1 15 6 30 1 16 6 31 1 17 7 8 1 18 7 32 1 19 7 33 1 20 8 34 1 21 8 35 1 22 9 13 1 23 9 36 1 24 9 37 1 25 10 14 1 26 10 38 1 27 10 39 1 28 11 15 1 29 11 40 1 30 11 41 1 31 12 16 1 32 12 42 1 33 12 43 1 34 13 44 1 35 13 45 1 36 14 46 1 37 14 47 1 38 15 48 1 39 15 49 1 40 16 50 1 41 16 51 1 42 17 19 ar 43 17 20 ar 44 18 21 ar 45 18 22 ar 46 19 23 ar 47 19 52 1 48 20 24 ar 49 20 53 1 50 21 26 ar 51 21 54 1 52 22 27 ar 53 22 55 1 54 23 25 ar 55 23 29 1 56 24 25 ar 57 24 56 1 58 25 57 1 59 26 28 ar 60 27 28 ar 61 27 58 1 62 28 59 1 63 29 60 1 64 29 61 1 65 29 62 1