IBS-ZINC04729121 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 -0.2000 1.8610 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 0.5330 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.3190 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 0.1500 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 1.5000 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 2.3410 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 2.0510 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 1.2240 -0.8440 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1810 -0.6720 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -1.9990 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -2.7700 0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -2.5730 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6060 -1.8500 -0.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -3.9100 0.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -4.7670 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 -4.3610 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -5.2650 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9800 -6.5870 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 -7.0090 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 -6.0960 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0950 -7.5360 0.5540 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2120 -7.1230 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8560 -8.6970 0.9150 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0600 2.5240 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 0.1560 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -1.3470 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.3820 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.1590 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -4.2930 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 -3.3420 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1930 -4.9200 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 -8.0330 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 -6.4390 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 3.2710 -1.2080 O 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 34 2 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 8 -1 M CHG 1 21 1 M CHG 1 23 -1 M END