D01DSP -OEChem-10101305022D 45 47 0 1 0 0 0 0 0999 V2000 6.3301 -0.6649 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 -1.0725 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 1.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 0.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -0.8777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6656 -3.1982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -0.1691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 0.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 -1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2543 -1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2208 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9935 -2.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9264 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6991 -3.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -0.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -0.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 -1.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0736 -1.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8431 -1.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3825 -0.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3943 -2.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5256 -2.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5375 -4.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 14 2 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 19 1 0 0 0 0 5 38 1 0 0 0 0 6 19 2 0 0 0 0 7 20 2 0 0 0 0 8 22 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 13 10 1 1 0 0 0 10 20 1 0 0 0 0 10 33 1 0 0 0 0 11 27 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 6 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 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 27 1 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$