B6CXI2 -OEChem-04012114422D 53 57 0 0 0 0 0 0 0999 V2000 8.6424 -0.5123 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.7260 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -1.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6424 -2.1217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2260 -3.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2260 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7260 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -3.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 2.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 2.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 3.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 3.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 2.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 0.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4160 -1.6461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6434 -3.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3336 -3.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3336 -0.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6434 -1.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1434 -2.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8336 -2.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 -3.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8086 -3.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8086 -1.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 -0.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5360 -0.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 -2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -2.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 15 2 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 23 1 0 0 0 0 5 50 1 0 0 0 0 6 23 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 18 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 47 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$