D0F2XV -OEChem-10101305032D 45 46 0 1 0 0 0 0 0999 V2000 10.2124 3.2103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 1.8257 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0860 0.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9555 3.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8815 2.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5432 3.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5161 2.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 -0.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -3.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5068 -2.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4692 2.5412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 0.9257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1888 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.2868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.5656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4706 2.5935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4182 1.5949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4169 1.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8014 3.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3478 -1.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3259 -1.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3696 -1.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 1.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5557 -2.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7375 3.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6252 1.0104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2622 3.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3866 3.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3407 2.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8040 0.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5452 3.6878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2407 -1.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 -2.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4985 -2.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4548 -2.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 -1.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 -0.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0852 2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9414 -3.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 -0.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 11 1 0 0 0 0 2 26 1 0 0 0 0 2 28 1 0 0 0 0 3 18 2 0 0 0 0 4 35 1 0 0 0 0 7 20 2 0 0 0 0 8 13 1 0 0 0 0 8 22 1 0 0 0 0 9 27 1 0 0 0 0 9 43 1 0 0 0 0 10 27 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 17 12 1 1 0 0 0 12 20 1 0 0 0 0 12 34 1 0 0 0 0 13 21 2 0 0 0 0 14 23 1 0 0 0 0 14 28 2 0 0 0 0 15 28 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 6 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 23 26 2 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$