@MOLECULE trifluoperazine 52 55 0 0 0 SMALL USER_CHARGES @ATOM 1 S 0.1440 2.3720 -1.2546 S.3 1 UNL11111111 0.1118 2 F 6.1598 -0.5054 -0.2921 F 1 UNL11111111 -0.2023 3 F 5.3014 -0.8059 1.6037 F 1 UNL11111111 -0.2008 4 F 4.8697 -2.1349 0.0247 F 1 UNL11111111 -0.2072 5 N -2.3755 -1.3437 -0.7389 N.3 1 UNL11111111 -0.4410 6 N -5.2241 -1.3383 -0.3912 N.3 1 UNL11111111 -0.3972 7 N 0.2532 0.0792 0.8782 N.pl3 1 UNL11111111 -0.4264 8 C -3.1112 -2.6064 -0.5015 C.3 1 UNL11111111 -0.1183 9 C -3.2295 -0.4162 -1.5198 C.3 1 UNL11111111 -0.1204 10 C -1.0715 -1.5627 -1.4048 C.3 1 UNL11111111 -0.1153 11 C -4.3553 -2.2783 0.3597 C.3 1 UNL11111111 -0.1242 12 C -4.4837 -0.0849 -0.6779 C.3 1 UNL11111111 -0.1295 13 C -0.0375 -2.0972 -0.3934 C.3 1 UNL11111111 -0.3124 14 C -0.0825 -1.3619 0.9583 C.3 1 UNL11111111 -0.0509 15 C -6.4494 -1.0415 0.3833 C.3 1 UNL11111111 -0.2831 16 C 1.4432 0.4038 0.1985 C.ar 1 UNL11111111 0.2081 17 C -0.8336 0.9850 0.9341 C.ar 1 UNL11111111 0.2388 18 C 1.5495 1.4491 -0.7360 C.ar 1 UNL11111111 -0.1613 19 C -0.9893 2.0675 0.0577 C.ar 1 UNL11111111 -0.2081 20 C 2.6025 -0.3237 0.5285 C.ar 1 UNL11111111 -0.1823 21 C -1.7590 0.8255 1.9852 C.ar 1 UNL11111111 -0.2083 22 C 3.8158 -0.0114 -0.0750 C.ar 1 UNL11111111 -0.0896 23 C 2.7747 1.7618 -1.3157 C.ar 1 UNL11111111 -0.1057 24 C -2.0658 2.9421 0.1949 C.ar 1 UNL11111111 -0.0890 25 C 3.9156 1.0275 -0.9954 C.ar 1 UNL11111111 -0.1457 26 C -2.8316 1.6967 2.1106 C.ar 1 UNL11111111 -0.1015 27 C -2.9960 2.7506 1.2109 C.ar 1 UNL11111111 -0.1997 28 C 5.0143 -0.8370 0.3015 C.3 1 UNL11111111 0.5492 29 H -2.4549 -3.3108 0.0485 H 1 UNL11111111 0.1321 30 H -3.4290 -3.1050 -1.4422 H 1 UNL11111111 0.1295 31 H -3.5349 -0.8363 -2.5014 H 1 UNL11111111 0.1288 32 H -2.6631 0.5203 -1.7110 H 1 UNL11111111 0.1432 33 H -1.1373 -2.2522 -2.2731 H 1 UNL11111111 0.1202 34 H -0.7118 -0.5876 -1.8045 H 1 UNL11111111 0.1482 35 H -4.9289 -3.2094 0.5488 H 1 UNL11111111 0.1343 36 H -4.0308 -1.8734 1.3416 H 1 UNL11111111 0.1231 37 H -4.1746 0.4548 0.2448 H 1 UNL11111111 0.1325 38 H -5.1478 0.5898 -1.2572 H 1 UNL11111111 0.1371 39 H -0.2095 -3.1759 -0.2112 H 1 UNL11111111 0.1489 40 H 0.9721 -2.0232 -0.8423 H 1 UNL11111111 0.1518 41 H 0.6237 -1.8358 1.6781 H 1 UNL11111111 0.1416 42 H -1.1079 -1.4760 1.3878 H 1 UNL11111111 0.1714 43 H -7.0979 -0.3804 -0.2152 H 1 UNL11111111 0.1454 44 H -6.2697 -0.5655 1.3584 H 1 UNL11111111 0.1186 45 H -7.0059 -1.9788 0.5465 H 1 UNL11111111 0.1439 46 H 2.5418 -1.1218 1.2706 H 1 UNL11111111 0.1813 47 H -1.6295 0.0180 2.7038 H 1 UNL11111111 0.1672 48 H 2.8611 2.5827 -2.0334 H 1 UNL11111111 0.1697 49 H -2.1902 3.7852 -0.4888 H 1 UNL11111111 0.1630 50 H 4.8623 1.2830 -1.4701 H 1 UNL11111111 0.1720 51 H -3.5455 1.5601 2.9226 H 1 UNL11111111 0.1521 52 H -3.8406 3.4275 1.3118 H 1 UNL11111111 0.1566 @BOND 1 48 23 1 2 50 25 1 3 23 25 ar 4 23 18 ar 5 25 22 ar 6 1 18 1 7 1 19 1 8 2 28 1 9 18 16 ar 10 34 10 1 11 33 10 1 12 31 9 1 13 22 28 1 14 22 20 ar 15 32 9 1 16 28 4 1 17 28 3 1 18 49 24 1 19 10 13 1 20 10 5 1 21 40 13 1 22 9 5 1 23 9 12 1 24 16 20 ar 25 16 7 1 26 19 24 ar 27 19 17 ar 28 20 46 1 29 38 12 1 30 24 27 ar 31 13 39 1 32 13 14 1 33 30 8 1 34 5 8 1 35 12 37 1 36 12 6 1 37 7 17 1 38 7 14 1 39 17 21 ar 40 8 29 1 41 8 11 1 42 14 41 1 43 14 42 1 44 6 11 1 45 6 15 1 46 27 52 1 47 27 26 ar 48 43 15 1 49 11 35 1 50 11 36 1 51 21 26 ar 52 21 47 1 53 15 45 1 54 15 44 1 55 26 51 1