BF8A3J -OEChem-04022109403D 29 31 0 0 0 0 0 0 0999 V2000 -0.2031 2.2184 0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -2.9103 0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0871 -1.4475 0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6793 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -0.1666 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1947 -0.6041 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 0.9065 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0646 -0.0538 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -1.7591 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5825 1.7770 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 -0.8328 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 0.0041 -1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7604 -0.0049 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 1.5489 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4561 0.2473 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1496 0.1112 -1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1511 0.1021 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8456 0.1601 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7499 -2.2183 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 2.8119 0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9824 -1.8404 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 -0.0332 -2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2332 -0.0492 2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 2.3899 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5283 0.0743 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6905 0.1563 -2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6934 0.1403 2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3589 2.7380 -0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9285 0.2435 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 28 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$