IBS-ZINC04060815 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.2310 2.8120 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.4860 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 0.4980 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 0.8250 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 2.1650 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 3.1510 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -0.2750 0.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3110 -1.2280 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -0.3630 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -1.7010 -1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -2.2930 -0.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -0.0560 1.1320 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5340 0.8820 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.1330 2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -1.2310 3.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 3.5800 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 1.2190 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.5300 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 2.4540 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 4.1850 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -0.1810 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 0.4190 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -2.0320 -2.9550 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1160 0.8460 3.2020 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0330 -1.1560 0.9130 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9370 -1.7030 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -0.8510 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 -1.8290 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 24 -1 M CHG 1 25 1 M END