DR2412 -OEChem-05042004142D 57 59 0 1 0 0 0 0 0999 V2000 1.4061 6.7344 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8039 3.9700 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 4.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3039 4.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3039 3.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 5.2308 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0660 1.0406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1959 3.6893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0619 4.1893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2859 4.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 5.2377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1800 5.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 3.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1959 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9497 5.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 5.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 2.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 1.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9613 6.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 7.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 7.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 3.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 3.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 4.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 4.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0814 3.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 5.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5809 6.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 6.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5385 3.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 4.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 5.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5615 5.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 5.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 5.1509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7526 2.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1637 1.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 7.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3495 6.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 0.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7398 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 6.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3735 7.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5293 7.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 7.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 6.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 4.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 3.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 2.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2069 4.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 27 1 0 0 0 0 3 57 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 28 1 6 0 0 0 9 13 1 0 0 0 0 9 29 1 1 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 1 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 25 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 M END $$$$