NIH-ZINC06498968 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.6850 -1.4580 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 3.4240 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 4.2560 -2.0900 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2260 5.5910 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 6.0970 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 5.2020 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 3.8780 -0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 5.6520 1.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 7.5830 -0.5790 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0420 8.1160 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 8.0120 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 7.9510 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 8.4400 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 8.9900 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 9.0550 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 8.5650 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 8.4940 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 8.8910 2.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 7.9260 0.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 6.4210 -2.8200 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 3.8970 -2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 7.5220 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 8.3920 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 9.3690 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 9.4840 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 3.2490 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 4 1 M CHG 1 21 -1 M END