DR0862 -OEChem-05042004252D 46 48 0 0 0 0 0 0 0999 V2000 2.2849 -2.6623 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8830 0.8377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -2.1623 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8830 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6509 -3.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6509 -1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -0.7449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4936 -0.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -0.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.5546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 3.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 3.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -3.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 -3.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1878 -2.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1879 -0.9863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 -0.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -1.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -0.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -0.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 2.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 11 1 0 0 0 0 7 15 2 0 0 0 0 8 12 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 17 2 0 0 0 0 12 18 2 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 19 1 0 0 0 0 15 39 1 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$