B6HB2A -OEChem-04022102072D 46 49 0 1 0 0 0 0 0999 V2000 5.2058 -0.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4791 -1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 4.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -1.9003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 1.4475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -1.9003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 2.9476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -1.0913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8968 -1.0913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5878 -0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 0.4475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4846 -1.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -2.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 1.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 1.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -3.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 3.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -4.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 3.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 -4.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 -2.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 -3.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 -1.6437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 0.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0214 -0.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5092 -0.9943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9492 0.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9273 -2.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6555 -2.4963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9938 1.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -4.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7313 -1.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 3.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -4.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -1.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 3.9845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1278 3.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 2.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 -5.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 -2.3854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 -3.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 37 1 0 0 0 0 3 17 2 0 0 0 0 4 21 2 0 0 0 0 5 7 1 0 0 0 0 10 5 1 1 0 0 0 5 15 1 0 0 0 0 13 6 1 6 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 8 38 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 6 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 26 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$