B1A2VS -OEChem-04042104323D 42 44 0 1 0 0 0 0 0999 V2000 -5.5534 -0.3855 0.8118 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5119 -0.2657 -0.2912 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5509 2.9384 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2853 -1.3379 -0.4742 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6813 -0.0405 0.8735 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3106 -1.3732 1.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2175 -2.0919 0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0584 -1.2528 0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4634 0.7725 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1877 0.1995 0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8942 1.0105 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5788 2.1353 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6615 2.3536 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 0.5096 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8867 -0.4197 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4931 -0.6393 -1.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0867 0.5158 1.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 0.0244 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9959 -0.8465 -1.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 0.0366 0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0244 -0.4548 -1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 -0.4488 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1989 -0.9394 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 0.5294 1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9488 -1.1858 2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -2.0219 1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 -2.2901 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 -3.0648 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7286 -1.7111 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 -1.3096 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0562 -0.3495 -1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 2.6366 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 3.0301 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2632 0.2321 -2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0181 -1.5163 -2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 0.8905 2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 0.0125 -2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2514 -1.7198 -0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4981 0.0241 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3942 -1.0036 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0327 0.0477 1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 -0.8299 -2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 2 31 1 0 0 0 0 3 12 2 0 0 0 0 3 13 1 0 0 0 0 4 23 3 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 M END $$$$