B9EMP4 -OEChem-04012113362D 42 44 0 0 0 0 0 0 0999 V2000 9.4815 2.9476 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0869 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 0.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -0.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 0.3922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4815 -1.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 -2.6315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2134 -1.1416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 1.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9349 1.7459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8634 -2.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7896 -2.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7467 -1.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2206 -0.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 5 27 1 0 0 0 0 5 38 1 0 0 0 0 6 27 2 0 0 0 0 7 18 1 0 0 0 0 7 32 1 0 0 0 0 8 19 2 0 0 0 0 8 23 1 0 0 0 0 9 19 1 0 0 0 0 9 28 2 0 0 0 0 10 28 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 28 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 20 23 2 0 0 0 0 21 24 2 0 0 0 0 21 27 1 0 0 0 0 22 25 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 26 1 0 0 0 0 24 35 1 0 0 0 0 25 26 2 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 M END $$$$