D0GV8J -OEChem-03101900412D 42 46 0 1 0 0 0 0 0999 V2000 7.9294 -3.1846 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.2846 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4366 -4.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.1221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -1.7222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5307 -2.7638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 0.2846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4487 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -2.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0402 -1.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -3.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4328 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0536 -2.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 0.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5748 -1.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 1.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 -3.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9925 -3.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -0.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -1.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -1.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 2.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 28 1 0 0 0 0 3 22 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 31 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 22 1 0 0 0 0 7 36 1 0 0 0 0 8 15 2 0 0 0 0 8 27 1 0 0 0 0 9 27 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 29 1 1 0 0 0 11 16 1 1 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 19 25 1 0 0 0 0 19 33 1 0 0 0 0 20 26 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 28 2 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$