DR0598 -OEChem-05042004242D 59 61 0 1 0 0 0 0 0999 V2000 7.4320 5.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 8.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 5.2308 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.9522 1.0406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2922 6.7344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9481 4.1893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0820 3.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8141 3.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1640 5.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0661 5.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8141 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0820 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9481 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1720 4.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8359 5.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4320 1.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2961 5.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1720 2.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0661 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1640 1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4243 7.2310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4204 8.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5602 6.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6874 4.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4247 3.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0261 4.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1628 5.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4671 6.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6688 6.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6387 3.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1396 5.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3764 6.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5321 6.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0499 1.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6387 2.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2381 0.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0685 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6259 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 7.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 7.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0314 8.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 8.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2481 7.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0244 6.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8722 6.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5501 9.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 5.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 27 1 0 0 0 0 2 55 1 0 0 0 0 3 31 1 0 0 0 0 3 58 1 0 0 0 0 4 32 1 0 0 0 0 4 59 1 0 0 0 0 5 31 2 0 0 0 0 6 32 2 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 8 45 1 0 0 0 0 9 22 1 0 0 0 0 26 9 1 1 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 1 0 0 0 11 16 1 0 0 0 0 11 18 2 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 22 1 1 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 19 24 2 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 M END $$$$