D00857 -OEChem-05252109492D 45 46 0 1 0 0 0 0 0999 V2000 3.3328 3.2103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8243 1.8257 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7437 3.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 3.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 2.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 3.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 2.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4053 -0.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 -3.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0384 -2.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0759 2.5412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8701 0.9257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3563 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3243 0.2868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0844 0.5656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 1.5425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1269 1.5949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0746 2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8211 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5643 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -1.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5153 0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2192 -1.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1755 -1.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8243 1.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 -2.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5438 1.7495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 1.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9984 1.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 0.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 0.3845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7412 0.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3481 -0.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -1.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 -2.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0466 -2.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 -2.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3044 -1.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4599 2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6037 -3.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5452 0.9805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2133 -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 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$