BDJ9H1 -OEChem-04022100462D 42 45 0 1 0 0 0 0 0999 V2000 10.5525 1.4224 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -1.1776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.0534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -0.4090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3364 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -1.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -1.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6255 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3031 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2788 0.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 1.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5768 1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8505 2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 -0.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 -2.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9387 -2.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -2.7880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3466 -2.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 -1.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 0.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -2.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -2.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -1.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1184 -0.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5033 2.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6990 -0.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0839 2.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4423 2.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0353 2.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2587 2.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 28 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$