@MOLECULE 10-(3-aminopropyl)-8-chloro-10h-phenothiazine-2,3-diol 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.0035 0.0086 0.4154 Cl 1 UNL1111111111 -0.0825 2 S 0.5290 2.6803 -0.4683 S.3 1 UNL1111111111 0.1438 3 O 4.5879 -1.4852 0.3564 O.3 1 UNL1111111111 -0.4790 4 O 5.1955 1.1658 0.6499 O.3 1 UNL1111111111 -0.4403 5 N -0.0255 -0.3180 -0.6623 N.pl3 1 UNL1111111111 -0.4127 6 N -0.8300 -5.0532 0.5923 N.3 1 UNL1111111111 -0.6441 7 C -0.2779 -1.6966 -1.1146 C.3 1 UNL1111111111 -0.0740 8 C 1.2941 0.0314 -0.3014 C.ar 1 UNL1111111111 0.2333 9 C -1.1255 0.4711 -0.2894 C.ar 1 UNL1111111111 0.2592 10 C -0.4618 -2.6991 0.0374 C.3 1 UNL1111111111 -0.3238 11 C 1.6717 1.3788 -0.1636 C.ar 1 UNL1111111111 -0.1966 12 C -0.9942 1.8678 -0.1317 C.ar 1 UNL1111111111 -0.2162 13 C 2.2752 -0.9635 -0.1196 C.ar 1 UNL1111111111 -0.3437 14 C -0.5166 -4.1310 -0.5206 C.3 1 UNL1111111111 -0.0911 15 C -2.4009 -0.0983 -0.1145 C.ar 1 UNL1111111111 -0.3028 16 C 2.9726 1.7464 0.1705 C.ar 1 UNL1111111111 -0.1324 17 C -2.0764 2.6603 0.2312 C.ar 1 UNL1111111111 -0.0612 18 C 3.5766 -0.5906 0.1871 C.ar 1 UNL1111111111 0.1976 19 C 3.9370 0.7588 0.3406 C.ar 1 UNL1111111111 0.1510 20 C -3.4626 0.7279 0.2189 C.ar 1 UNL1111111111 0.0926 21 C -3.3395 2.0946 0.4079 C.ar 1 UNL1111111111 -0.2371 22 H -1.1785 -1.6915 -1.7752 H 1 UNL1111111111 0.1556 23 H 0.5643 -2.0051 -1.7792 H 1 UNL1111111111 0.1531 24 H -1.3910 -2.4914 0.6092 H 1 UNL1111111111 0.1751 25 H 0.3429 -2.5992 0.7895 H 1 UNL1111111111 0.1544 26 H 2.0376 -2.0179 -0.2145 H 1 UNL1111111111 0.1749 27 H 0.4322 -4.3823 -1.0401 H 1 UNL1111111111 0.1031 28 H -1.3335 -4.2156 -1.2730 H 1 UNL1111111111 0.1427 29 H -2.5669 -1.1692 -0.2263 H 1 UNL1111111111 0.1905 30 H 3.2655 2.7926 0.3011 H 1 UNL1111111111 0.1911 31 H -1.9577 3.7385 0.3769 H 1 UNL1111111111 0.1697 32 H -4.1901 2.7142 0.6830 H 1 UNL1111111111 0.1782 33 H -0.1113 -5.0569 1.2955 H 1 UNL1111111111 0.2476 34 H -0.9836 -5.9936 0.2726 H 1 UNL1111111111 0.2486 35 H 4.2603 -2.4171 0.3392 H 1 UNL1111111111 0.3377 36 H 5.7955 0.3824 0.7688 H 1 UNL1111111111 0.3379 @BOND 1 1 20 1 2 2 11 1 3 2 12 1 4 3 18 1 5 3 35 1 6 4 19 1 7 4 36 1 8 5 7 1 9 5 8 1 10 5 9 1 11 6 14 1 12 6 33 1 13 6 34 1 14 7 10 1 15 7 22 1 16 7 23 1 17 8 11 ar 18 8 13 ar 19 9 12 ar 20 9 15 ar 21 10 14 1 22 10 24 1 23 10 25 1 24 11 16 ar 25 12 17 ar 26 13 18 ar 27 13 26 1 28 14 27 1 29 14 28 1 30 15 20 ar 31 15 29 1 32 16 19 ar 33 16 30 1 34 17 21 ar 35 17 31 1 36 18 19 ar 37 20 21 ar 38 21 32 1