@MOLECULE 1-{10-[3-(dimethylamino)-2-methylpropyl]-10h-phenothiazin-2-yl}-1-pentanone 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4910 0.9921 1.7063 S.3 1 UNL1111111111 0.1208 2 O 3.4185 3.6060 -0.0799 O.2 1 UNL1111111111 -0.4410 3 N -1.2885 0.1216 -1.0664 N.pl3 1 UNL1111111111 -0.4297 4 N 1.3122 -2.7479 1.4880 N.3 1 UNL1111111111 -0.3864 5 C -0.4970 -2.0512 -0.0259 C.3 1 UNL1111111111 -0.1329 6 C -0.6716 -1.2074 -1.3119 C.3 1 UNL1111111111 -0.0994 7 C 0.9411 -2.6216 0.0568 C.3 1 UNL1111111111 -0.1332 8 C -0.5065 0.9596 -0.2198 C.ar 1 UNL1111111111 0.1603 9 C -2.7023 0.0870 -0.9002 C.ar 1 UNL1111111111 0.1920 10 C -1.5297 -3.1764 0.0274 C.3 1 UNL1111111111 -0.4480 11 C -0.9218 1.4259 1.0351 C.ar 1 UNL1111111111 -0.1470 12 C -3.3672 0.4788 0.2679 C.ar 1 UNL1111111111 -0.1919 13 C 0.7460 1.3535 -0.7181 C.ar 1 UNL1111111111 -0.1614 14 C 1.5816 2.1514 0.0554 C.ar 1 UNL1111111111 -0.1230 15 C -3.4570 -0.3123 -2.0178 C.ar 1 UNL1111111111 -0.2017 16 C -0.0875 2.2431 1.7956 C.ar 1 UNL1111111111 -0.1269 17 C 1.8043 -1.4645 2.0333 C.3 1 UNL1111111111 -0.2880 18 C 2.3242 -3.8070 1.6844 C.3 1 UNL1111111111 -0.2808 19 C 1.1680 2.5977 1.3118 C.ar 1 UNL1111111111 -0.1195 20 C -4.7596 0.4576 0.3285 C.ar 1 UNL1111111111 -0.0988 21 C 2.9281 2.5599 -0.4295 C.2 1 UNL1111111111 0.4714 22 C 3.6735 1.6280 -1.3547 C.3 1 UNL1111111111 -0.3781 23 C -4.8436 -0.3395 -1.9470 C.ar 1 UNL1111111111 -0.1097 24 C 3.8836 0.2616 -0.6958 C.3 1 UNL1111111111 -0.2573 25 C -5.4975 0.0392 -0.7743 C.ar 1 UNL1111111111 -0.1823 26 C 4.5478 -0.7160 -1.6732 C.3 1 UNL1111111111 -0.2455 27 C 4.7630 -2.0783 -1.0158 C.3 1 UNL1111111111 -0.4459 28 H -0.6603 -1.4002 0.8712 H 1 UNL1111111111 0.1694 29 H -1.2940 -1.7528 -2.0549 H 1 UNL1111111111 0.1548 30 H 0.3055 -1.0295 -1.8138 H 1 UNL1111111111 0.1471 31 H 1.6512 -1.9810 -0.5082 H 1 UNL1111111111 0.1144 32 H 0.9709 -3.6209 -0.4257 H 1 UNL1111111111 0.1386 33 H -1.4443 -3.8624 -0.8196 H 1 UNL1111111111 0.1386 34 H -1.4001 -3.7653 0.9473 H 1 UNL1111111111 0.1640 35 H -2.5512 -2.7784 0.0402 H 1 UNL1111111111 0.1471 36 H 1.0467 1.0354 -1.7169 H 1 UNL1111111111 0.1723 37 H -2.9491 -0.5830 -2.9423 H 1 UNL1111111111 0.1678 38 H -0.4066 2.6150 2.7722 H 1 UNL1111111111 0.1699 39 H 1.8612 -1.5522 3.1315 H 1 UNL1111111111 0.1500 40 H 1.0808 -0.6609 1.8132 H 1 UNL1111111111 0.1511 41 H 2.7900 -1.1553 1.6560 H 1 UNL1111111111 0.1182 42 H 1.9007 -4.7725 1.3621 H 1 UNL1111111111 0.1436 43 H 2.5420 -3.8955 2.7621 H 1 UNL1111111111 0.1472 44 H 3.2723 -3.6419 1.1526 H 1 UNL1111111111 0.1146 45 H 1.8274 3.2380 1.9023 H 1 UNL1111111111 0.1748 46 H -5.2849 0.7666 1.2352 H 1 UNL1111111111 0.1640 47 H 4.6535 2.0772 -1.6226 H 1 UNL1111111111 0.1719 48 H 3.1255 1.5273 -2.3121 H 1 UNL1111111111 0.1659 49 H -5.4229 -0.6525 -2.8152 H 1 UNL1111111111 0.1533 50 H 4.5082 0.3719 0.2120 H 1 UNL1111111111 0.1444 51 H 2.9165 -0.1530 -0.3480 H 1 UNL1111111111 0.1441 52 H -6.5840 0.0153 -0.7249 H 1 UNL1111111111 0.1564 53 H 3.9273 -0.8289 -2.5823 H 1 UNL1111111111 0.1350 54 H 5.5172 -0.3071 -2.0179 H 1 UNL1111111111 0.1371 55 H 5.2627 -2.7742 -1.6992 H 1 UNL1111111111 0.1418 56 H 3.8134 -2.5376 -0.7180 H 1 UNL1111111111 0.1422 57 H 5.3879 -1.9987 -0.1191 H 1 UNL1111111111 0.1443 @BOND 1 1 11 1 2 1 12 1 3 2 21 2 4 3 6 1 5 3 8 1 6 3 9 1 7 4 7 1 8 4 17 1 9 4 18 1 10 5 6 1 11 5 7 1 12 5 10 1 13 5 28 1 14 6 29 1 15 6 30 1 16 7 31 1 17 7 32 1 18 8 11 ar 19 8 13 ar 20 9 12 ar 21 9 15 ar 22 10 33 1 23 10 34 1 24 10 35 1 25 11 16 ar 26 12 20 ar 27 13 14 ar 28 13 36 1 29 14 19 ar 30 14 21 1 31 15 23 ar 32 15 37 1 33 16 19 ar 34 16 38 1 35 17 39 1 36 17 40 1 37 17 41 1 38 18 42 1 39 18 43 1 40 18 44 1 41 19 45 1 42 20 25 ar 43 20 46 1 44 21 22 1 45 22 24 1 46 22 47 1 47 22 48 1 48 23 25 ar 49 23 49 1 50 24 26 1 51 24 50 1 52 24 51 1 53 25 52 1 54 26 27 1 55 26 53 1 56 26 54 1 57 27 55 1 58 27 56 1 59 27 57 1