BW04JO -OEChem-04042104073D 56 58 0 0 0 0 0 0 0999 V2000 3.7716 2.8523 1.8961 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9701 -0.8865 1.8881 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1893 -3.7017 0.8165 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8876 -1.6871 0.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -2.0293 -1.8595 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6755 -1.8657 -0.2625 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0724 -2.1059 0.5978 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2288 2.1632 -1.0519 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 0.3111 -1.5013 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3335 1.1807 -1.9614 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4072 -2.0715 -1.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2969 -1.6739 1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5906 -2.7933 -0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 -1.2182 1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0057 -1.8715 -0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 -1.6862 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3432 -2.2834 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5252 -0.5537 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0744 -1.4605 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6227 -3.0402 -0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7026 0.0070 0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6742 0.7682 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 1.9509 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 3.2716 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 3.1671 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 3.4810 0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 2.7565 -1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1362 3.3847 1.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3063 2.6601 -0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3128 2.9742 0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7011 -1.0788 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -2.6318 -2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9718 -0.9497 1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4477 -2.6394 1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3972 -2.8854 -1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2844 -3.8022 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 -1.1687 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.2159 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6013 -0.3692 -1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1596 -0.7334 -2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0641 0.3694 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1528 -1.4433 1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7899 -0.5136 1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8627 -2.2477 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7096 -3.1841 -0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 -3.1672 -1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1865 -3.8601 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4346 0.7160 0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2504 -0.6801 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 4.1891 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 3.3435 -2.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1218 2.6266 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9533 3.8099 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 2.5125 -2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1266 3.6335 2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2186 2.3682 -0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 17 2 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 15 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 29 2 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$