B2HQA0 -OEChem-04012115522D 50 53 0 0 0 0 0 0 0999 V2000 2.0000 1.2905 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -1.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0261 2.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -2.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0296 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3403 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6724 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3188 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9831 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6294 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9616 3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6939 1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -2.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 -3.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6341 -2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7328 0.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5690 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2361 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 3.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2187 3.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 5 19 1 0 0 0 0 5 43 1 0 0 0 0 6 33 1 0 0 0 0 6 50 1 0 0 0 0 7 33 2 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 37 1 0 0 0 0 9 20 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 33 1 0 0 0 0 29 31 1 0 0 0 0 29 46 1 0 0 0 0 30 32 1 0 0 0 0 30 47 1 0 0 0 0 31 32 2 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 M END $$$$