B2GPU8 -OEChem-04022113113D 28 30 0 0 0 0 0 0 0999 V2000 2.8601 -1.4727 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 3.6445 -0.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 -3.4618 0.0054 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0592 0.0213 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5415 -1.3165 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 -0.1455 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 1.2810 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7296 -1.7221 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -2.2440 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3011 0.9328 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9165 -0.8469 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3475 2.3853 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7428 2.2125 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4651 -0.4124 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4903 -0.4537 -1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5878 0.4154 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6129 0.3741 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1618 0.8087 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9629 -2.7845 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 1.4477 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3765 0.7957 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 3.0765 -0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0287 -0.7105 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0736 -0.7841 -2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0149 0.7540 2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0597 0.6807 -2.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0358 1.4534 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5559 4.2875 -0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 12 1 0 0 0 0 2 28 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 12 2 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 10 13 2 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$