B8E4RQ -OEChem-04022101382D 58 61 0 1 0 0 0 0 0999 V2000 9.4908 -0.0471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 0.0941 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 1.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2638 3.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 2.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8181 2.7067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.2759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 2.0633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 0.7695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4752 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0952 2.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9053 3.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 0.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3724 2.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1824 2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7679 -0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6281 3.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5410 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3510 3.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 1.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6014 1.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2528 3.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4600 3.5465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 2.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7640 1.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1186 3.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1512 -0.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8317 -0.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3846 -0.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9757 3.8065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1829 3.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8818 2.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4415 -0.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1934 2.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9862 2.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6986 3.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9058 3.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 2.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2909 1.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7661 3.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 18 1 0 0 0 0 2 24 1 0 0 0 0 10 3 1 1 0 0 0 3 14 1 0 0 0 0 4 29 1 0 0 0 0 4 58 1 0 0 0 0 5 32 2 0 0 0 0 6 17 1 0 0 0 0 6 26 1 0 0 0 0 6 28 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 7 45 1 0 0 0 0 8 26 2 0 0 0 0 8 27 1 0 0 0 0 9 32 1 0 0 0 0 9 56 1 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 34 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 27 2 0 0 0 0 18 23 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 25 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 46 1 0 0 0 0 24 32 1 0 0 0 0 25 29 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 30 1 0 0 0 0 27 49 1 0 0 0 0 28 31 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 33 2 0 0 0 0 30 53 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 33 55 1 0 0 0 0 M END $$$$