@MOLECULE 2-chloro-10-(beta-dimethylaminopropionyl)phenothiazine 5-oxide 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.0608 -0.7173 -0.4964 Cl 1 UNL111111111 -0.0775 2 S 0.4625 1.6322 1.2413 S.O 1 UNL111111111 1.1918 3 O -0.6284 -2.7345 -0.2107 O.2 1 UNL111111111 -0.5028 4 O 0.3263 3.0935 1.4483 O.2 1 UNL111111111 -0.7933 5 N 0.0409 -0.6434 -0.7073 N.am 1 UNL111111111 -0.5022 6 N 2.6009 -1.4483 1.2798 N.3 1 UNL111111111 -0.3923 7 C -1.1681 -0.0917 -0.1842 C.ar 1 UNL111111111 0.2429 8 C 1.0346 0.2971 -1.1122 C.ar 1 UNL111111111 0.2374 9 C -1.1215 1.0263 0.6579 C.ar 1 UNL111111111 -0.3593 10 C 1.3112 1.4183 -0.3238 C.ar 1 UNL111111111 -0.3312 11 C 1.6889 -2.5634 -0.7118 C.3 1 UNL111111111 -0.3636 12 C 0.2948 -2.0194 -0.5276 C.2 1 UNL111111111 0.6284 13 C 2.3076 -2.7745 0.6882 C.3 1 UNL111111111 -0.1035 14 C -2.4002 -0.6538 -0.5462 C.ar 1 UNL111111111 -0.2045 15 C 1.6766 0.1280 -2.3467 C.ar 1 UNL111111111 -0.2292 16 C -2.2955 1.6257 1.0980 C.ar 1 UNL111111111 -0.0448 17 C 2.2505 2.3506 -0.7449 C.ar 1 UNL111111111 -0.0608 18 C -3.5495 -0.0448 -0.0643 C.ar 1 UNL111111111 0.0661 19 C 2.6300 1.0580 -2.7499 C.ar 1 UNL111111111 -0.0947 20 C -3.5314 1.0890 0.7390 C.ar 1 UNL111111111 -0.2162 21 C 2.9243 2.1621 -1.9510 C.ar 1 UNL111111111 -0.1939 22 C 3.9303 -0.9536 0.8665 C.3 1 UNL111111111 -0.2814 23 C 2.4920 -1.4842 2.7529 C.3 1 UNL111111111 -0.2759 24 H 2.3448 -1.9198 -1.3240 H 1 UNL111111111 0.1744 25 H 1.6239 -3.5364 -1.2432 H 1 UNL111111111 0.1737 26 H 1.5795 -3.3250 1.3281 H 1 UNL111111111 0.1563 27 H 3.2029 -3.4245 0.6039 H 1 UNL111111111 0.1203 28 H -2.4407 -1.5432 -1.1785 H 1 UNL111111111 0.2014 29 H 1.4119 -0.7054 -2.9938 H 1 UNL111111111 0.1676 30 H -2.2598 2.5280 1.7203 H 1 UNL111111111 0.1788 31 H 2.4540 3.2443 -0.1444 H 1 UNL111111111 0.1745 32 H 3.1380 0.9289 -3.7053 H 1 UNL111111111 0.1514 33 H -4.4544 1.5535 1.0826 H 1 UNL111111111 0.1761 34 H 3.6665 2.8875 -2.2768 H 1 UNL111111111 0.1560 35 H 3.9728 -0.8914 -0.2331 H 1 UNL111111111 0.1439 36 H 4.7747 -1.5659 1.2128 H 1 UNL111111111 0.1142 37 H 4.0638 0.0724 1.2509 H 1 UNL111111111 0.1527 38 H 2.6857 -0.4737 3.1525 H 1 UNL111111111 0.1536 39 H 3.1764 -2.1878 3.2461 H 1 UNL111111111 0.1121 40 H 1.4556 -1.7471 3.0285 H 1 UNL111111111 0.1534 @BOND 1 1 18 1 2 2 4 2 3 2 9 1 4 2 10 1 5 3 12 2 6 5 7 1 7 5 8 1 8 5 12 am 9 6 13 1 10 6 22 1 11 6 23 1 12 7 9 ar 13 7 14 ar 14 8 10 ar 15 8 15 ar 16 9 16 ar 17 10 17 ar 18 11 12 1 19 11 13 1 20 11 24 1 21 11 25 1 22 13 26 1 23 13 27 1 24 14 18 ar 25 14 28 1 26 15 19 ar 27 15 29 1 28 16 20 ar 29 16 30 1 30 17 21 ar 31 17 31 1 32 18 20 ar 33 19 21 ar 34 19 32 1 35 20 33 1 36 21 34 1 37 22 35 1 38 22 36 1 39 22 37 1 40 23 38 1 41 23 39 1 42 23 40 1