B8JVD5 -OEChem-04012114033D 35 38 0 0 0 0 0 0 0999 V2000 2.3538 -2.5223 -0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1002 -0.9689 -0.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 1.8076 -0.7419 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9811 -0.0422 0.3765 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0841 0.8666 0.1019 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -0.4255 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 -1.2302 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 -1.2162 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4676 0.8252 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9621 -0.5435 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9246 -0.9119 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6309 2.1313 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9738 -2.5064 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9262 2.1113 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 2.9373 0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 0.3133 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8086 -1.8387 0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7746 0.6087 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1681 -1.5432 0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6512 -0.3195 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 2.8884 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8076 -0.4212 -0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5847 2.3820 0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5193 -3.4846 -0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9566 2.4361 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 4.0129 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7624 1.0348 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 -2.7966 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8451 -2.2693 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 3.1127 0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9082 2.6526 1.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6541 3.7707 -0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7772 -1.5056 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4918 0.0906 -1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8360 -0.1276 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 20 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$