BA98DC -OEChem-04012115532D 40 42 0 0 0 0 0 0 0999 V2000 10.5225 0.6644 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -1.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2095 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 7.2764 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7095 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 8.8762 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1653 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5190 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4975 3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -3.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 -2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6017 1.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7720 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1049 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6901 3.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 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 11 1 0 0 0 0 5 17 1 0 0 0 0 5 36 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 29 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 26 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$