@MOLECULE n-acetyl-s-(pentachlorophenyl)-l-cysteine 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 CL -0.6803 -1.8406 -0.6287 Cl 1 UNK1111111111 0.0062 2 CL 1.2955 3.1066 -0.0648 Cl 1 UNK1111111111 0.0321 3 CL 4.0972 1.9294 0.3291 Cl 1 UNK1111111111 0.0334 4 CL 2.1132 -3.0017 -0.1755 Cl 1 UNK1111111111 0.0338 5 CL 4.5169 -1.1231 0.2843 Cl 1 UNK1111111111 0.0391 6 S -1.1893 1.2963 -0.6849 S.3 1 UNK1111111111 0.1051 7 O -4.7151 1.2769 -1.1895 O.3 1 UNK1111111111 -0.5523 8 O -4.6061 2.6270 0.5811 O.2 1 UNK1111111111 -0.4859 9 O -3.5341 -2.0074 1.7918 O.2 0 UNK0 -0.5384 10 N -3.5402 -0.7536 -0.0799 N.am 1 UNK1 -0.6040 11 C -3.4799 0.4738 0.6975 C.3 1 UNK1 0.0412 12 C -2.0475 0.9894 0.9090 C.3 1 UNK1 -0.3598 13 C 0.4112 0.5921 -0.3555 C.ar 1 UNK1 -0.1545 14 C -4.3124 1.5826 0.0659 C.2 1 UNK1 0.6007 15 C 0.6199 -0.7853 -0.3689 C.ar 1 UNK1 0.0128 16 C 1.5050 1.4275 -0.1270 C.ar 1 UNK1 0.0150 17 C -3.5435 -1.9743 0.5782 C.2 0 UNK0 0.6193 18 C 2.7800 0.9004 0.0658 C.ar 1 UNK1 -0.0695 19 C 1.8881 -1.3245 -0.1654 C.ar 1 UNK1 -0.0696 20 C 2.9725 -0.4781 0.0469 C.ar 1 UNK1 -0.0099 21 C -3.5789 -3.1944 -0.2923 C.3 0 UNK0 -0.5240 22 H -3.9266 0.2707 1.7294 H 1 UNK1 0.2114 23 H -1.4859 0.2584 1.5260 H 1 UNK1 0.1877 24 H -2.0620 1.9347 1.4924 H 1 UNK1 0.1891 25 H -3.5076 -0.6726 -1.0860 H 1 UNK1 0.3354 26 H -2.8320 -3.9280 0.0564 H 0 UNK0 0.1900 27 H -4.5611 -3.6879 -0.2077 H 0 UNK0 0.1854 28 H -3.3937 -3.0036 -1.3552 H 0 UNK0 0.1685 29 H -5.2505 1.9925 -1.6176 H 1 UNK1 0.3617 @BOND 1 1 15 1 2 2 16 1 3 3 18 1 4 4 19 1 5 5 20 1 6 6 12 1 7 6 13 1 8 7 14 1 9 7 29 1 10 8 14 2 11 9 17 2 12 10 11 1 13 10 17 am 14 10 25 1 15 11 12 1 16 11 14 1 17 11 22 1 18 12 23 1 19 12 24 1 20 13 15 ar 21 13 16 ar 22 15 19 ar 23 16 18 ar 24 17 21 1 25 18 20 ar 26 19 20 ar 27 21 26 1 28 21 27 1 29 21 28 1