BDR9I6 -OEChem-04012114422D 55 59 0 0 0 0 0 0 0999 V2000 13.7260 -2.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6424 -0.5123 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.5920 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5920 -1.6830 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 -1.3170 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 13.2260 -1.3170 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 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 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 9.2260 -1.3170 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 7.6962 -0.8170 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 6.8301 -0.3170 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 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 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 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 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 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 10.5360 -0.7801 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 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 3 2 0 0 0 0 1 4 2 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 24 1 0 0 0 0 2 26 1 0 0 0 0 5 19 2 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 7 49 1 0 0 0 0 8 24 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 50 1 0 0 0 0 21 23 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 25 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$