DR0738 -OEChem-05042004012D 56 57 0 1 0 0 0 0 0999 V2000 12.2619 -4.0355 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.9209 4.0355 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -4.0355 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.2619 -2.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -3.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.4374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2619 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.3034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 3.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -2.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -2.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -3.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -3.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 -3.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5741 -2.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0953 -1.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -0.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 -2.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 -2.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.9743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 -2.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 1.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 0.9286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -3.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 -3.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 3.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 2.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -0.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -1.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 30 1 0 0 0 0 19 3 1 1 0 0 0 3 55 1 0 0 0 0 22 4 1 1 0 0 0 4 56 1 0 0 0 0 5 31 1 0 0 0 0 6 31 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 32 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 18 2 0 0 0 0 13 21 2 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 25 2 0 0 0 0 16 26 1 0 0 0 0 17 23 1 0 0 0 0 17 40 1 0 0 0 0 18 24 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 27 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 29 2 0 0 0 0 26 50 1 0 0 0 0 27 31 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 M CHG 2 1 1 5 -1 M END $$$$