BH3W6B -OEChem-04022101433D 43 45 0 0 0 0 0 0 0999 V2000 4.2954 -1.2607 -0.0540 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5811 -1.2646 0.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 -1.8472 -1.3746 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9378 -2.0465 -0.9958 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 -1.9270 1.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9961 -0.1007 0.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5299 -0.0696 -0.7095 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7788 0.4287 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 -1.7494 0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 1.3447 0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 0.7983 -1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9716 3.0686 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 -1.3997 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2189 -2.2453 -0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8879 -1.0787 1.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8676 2.6762 0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4827 2.1298 -1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1295 -2.0703 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4605 -0.9039 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3748 -1.2166 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 4.4923 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 0.3153 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 1.4525 0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2307 -0.4114 -0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1069 1.8367 0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9352 1.0485 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 -1.8903 2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9664 1.0575 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5029 0.0871 -1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8437 -2.7947 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 -0.6935 2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2556 3.3984 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 2.4241 -2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5056 -2.4650 -1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0818 -0.4089 2.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5185 4.5694 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5358 4.9704 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2118 5.0486 -1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 0.5357 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1032 2.0501 1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9922 -1.3123 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4832 2.7248 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9809 1.3049 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 4 20 2 0 0 0 0 5 9 1 0 0 0 0 5 27 1 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 6 39 1 0 0 0 0 7 24 1 0 0 0 0 7 26 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 11 17 2 0 0 0 0 11 29 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 19 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$