BSC4V6 -OEChem-04022105453D 53 57 0 1 0 0 0 0 0999 V2000 2.8542 0.7735 1.0113 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 -0.2796 1.1184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1885 -3.3264 0.5104 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9611 -2.5450 -0.8067 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4933 0.5976 -0.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 0.6152 0.1514 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3105 2.7137 -0.5315 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2946 -0.0599 0.5171 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8428 1.7552 0.0025 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1014 3.8982 -0.7623 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6047 -0.7923 -0.9377 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -2.2069 -0.2472 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9846 -1.5193 -0.6672 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9868 -1.2010 0.6448 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2807 -0.6097 0.5185 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4338 -3.6820 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -0.4005 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 -4.8063 -1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4164 -4.1181 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3412 0.8161 0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 1.5011 -0.1722 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4146 1.7838 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0805 0.4931 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 2.1224 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3074 0.7217 0.2453 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8577 2.5434 0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1088 2.1233 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8284 2.5864 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5177 0.5023 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 -2.5866 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8721 -0.9640 -1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -1.6992 1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8881 -1.1010 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5821 0.1718 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 -1.0935 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1346 -5.0990 -1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -4.4869 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 -5.6835 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3946 -4.3612 0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 -4.9844 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5738 -3.3161 1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4778 1.9272 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 1.9030 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 0.7100 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7752 -0.5560 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3311 0.0442 1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4906 3.5198 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8699 2.7097 1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3542 -0.1357 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 4.5204 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0612 4.2120 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 -1.0189 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6986 -0.6754 -1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 7 22 2 0 0 0 0 7 24 1 0 0 0 0 8 20 2 0 0 0 0 8 29 1 0 0 0 0 9 28 1 0 0 0 0 9 29 2 0 0 0 0 10 28 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 28 2 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$