@MOLECULE 1-piperazineethanol, 4-(3-(7-azido-2-(trifluoromethyl)-10h-phenothiazin-10-yl)propyl)- 58 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.5122 2.0875 1.2387 S.3 1 UNL1 0.1451 2 F 2.4507 4.4654 -0.7560 F 1 UNL1 -0.2016 3 F 3.0194 2.7058 0.2449 F 1 UNL1 -0.2035 4 F 2.4416 2.6320 -1.7818 F 1 UNL1 -0.2064 5 O 8.2221 -2.1158 1.5393 O.3 1 UNL1 -0.5632 6 N 2.1409 -2.0759 -0.5522 N.3 1 UNL1 -0.4331 7 N 4.9399 -1.8257 0.0450 N.3 1 UNL1 -0.4347 8 N -1.4760 -0.0462 0.3518 N.pl3 1 UNL1 -0.4080 9 N -6.9297 -1.4268 0.0718 N.2 1 UNL1 -0.4080 10 N -7.4020 -2.5329 -0.2592 N.2 1 UNL1 0.4300 11 N -8.0471 -3.4314 -0.5170 N.2 1 UNL1 -0.1904 12 C 3.0228 -1.2001 -1.3619 C.3 1 UNL1 -0.1198 13 C 2.9218 -3.2335 -0.0507 C.3 1 UNL1 -0.1219 14 C 4.1575 -0.6685 -0.4540 C.3 1 UNL1 -0.1139 15 C 4.0580 -2.7013 0.8553 C.3 1 UNL1 -0.1189 16 C 0.9547 -2.5198 -1.3240 C.3 1 UNL1 -0.1131 17 C -0.1250 -1.4225 -1.2630 C.3 1 UNL1 -0.3085 18 C 6.1223 -1.3892 0.8211 C.3 1 UNL1 -0.1411 19 C -0.4675 -1.1121 0.2059 C.3 1 UNL1 -0.0694 20 C 7.2395 -2.4209 0.5599 C.3 1 UNL1 0.0056 21 C -1.0450 1.2873 0.2632 C.ar 1 UNL1 0.2306 22 C -2.8328 -0.4062 0.2381 C.ar 1 UNL1 0.2031 23 C -1.8978 2.3596 0.5995 C.ar 1 UNL1 -0.1744 24 C -3.8630 0.4852 0.6040 C.ar 1 UNL1 -0.1688 25 C 0.2764 1.5956 -0.1154 C.ar 1 UNL1 -0.2187 26 C -3.2023 -1.6927 -0.1950 C.ar 1 UNL1 -0.2106 27 C 0.6941 2.9210 -0.1940 C.ar 1 UNL1 -0.0686 28 C -1.4707 3.6776 0.5009 C.ar 1 UNL1 -0.0974 29 C -5.1981 0.1246 0.5247 C.ar 1 UNL1 -0.1109 30 C -0.1673 3.9708 0.1003 C.ar 1 UNL1 -0.1596 31 C -4.5368 -2.0757 -0.2579 C.ar 1 UNL1 -0.1897 32 C -5.5389 -1.1701 0.0977 C.ar 1 UNL1 0.1209 33 C 2.1153 3.1845 -0.6115 C.3 1 UNL1 0.5520 34 H 3.4634 -1.7257 -2.2363 H 1 UNL1 0.1276 35 H 2.4286 -0.3482 -1.7520 H 1 UNL1 0.1382 36 H 2.2530 -3.8870 0.5467 H 1 UNL1 0.1328 37 H 3.3541 -3.8472 -0.8692 H 1 UNL1 0.1260 38 H 3.7273 -0.0569 0.3678 H 1 UNL1 0.1335 39 H 4.8275 -0.0138 -1.0509 H 1 UNL1 0.1421 40 H 3.6198 -2.1757 1.7318 H 1 UNL1 0.1317 41 H 4.6553 -3.5537 1.2400 H 1 UNL1 0.1354 42 H 1.1903 -2.7571 -2.3832 H 1 UNL1 0.1218 43 H 0.5517 -3.4545 -0.8767 H 1 UNL1 0.1351 44 H -1.0210 -1.7482 -1.8225 H 1 UNL1 0.1474 45 H 0.2208 -0.5093 -1.7834 H 1 UNL1 0.1554 46 H 6.4667 -0.3855 0.4931 H 1 UNL1 0.1492 47 H 5.9386 -1.3047 1.9138 H 1 UNL1 0.1415 48 H -0.8248 -2.0247 0.7350 H 1 UNL1 0.1528 49 H 0.4587 -0.8182 0.7642 H 1 UNL1 0.1834 50 H 6.8954 -3.4572 0.7150 H 1 UNL1 0.1179 51 H 7.6640 -2.3156 -0.4516 H 1 UNL1 0.1192 52 H 0.9874 0.7962 -0.3418 H 1 UNL1 0.1913 53 H -2.4494 -2.4226 -0.4918 H 1 UNL1 0.1744 54 H -2.1454 4.5049 0.7408 H 1 UNL1 0.1701 55 H -6.0022 0.8205 0.7911 H 1 UNL1 0.1922 56 H 0.1458 5.0119 0.0326 H 1 UNL1 0.1728 57 H 9.0495 -2.5944 1.3532 H 1 UNL1 0.3133 58 H -4.7848 -3.0822 -0.5895 H 1 UNL1 0.1615 @BOND 1 42 16 1 2 34 12 1 3 44 17 1 4 45 17 1 5 4 33 1 6 35 12 1 7 12 6 1 8 12 14 1 9 16 17 1 10 16 43 1 11 16 6 1 12 17 19 1 13 39 14 1 14 37 13 1 15 2 33 1 16 33 27 1 17 33 3 1 18 58 31 1 19 6 13 1 20 11 10 2 21 53 26 1 22 14 7 1 23 14 38 1 24 51 20 1 25 52 25 1 26 10 9 2 27 31 26 ar 28 31 32 ar 29 26 22 ar 30 27 25 ar 31 27 30 ar 32 25 21 ar 33 13 36 1 34 13 15 1 35 56 30 1 36 7 18 1 37 7 15 1 38 9 32 1 39 32 29 ar 40 30 28 ar 41 19 8 1 42 19 48 1 43 19 49 1 44 22 8 1 45 22 24 ar 46 21 8 1 47 21 23 ar 48 46 18 1 49 28 23 ar 50 28 54 1 51 29 24 ar 52 29 55 1 53 20 50 1 54 20 18 1 55 20 5 1 56 23 1 1 57 24 1 1 58 18 47 1 59 15 41 1 60 15 40 1 61 57 5 1