NIH-ZINC02868430 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.6920 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0080 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 1.8360 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 0.7070 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -0.3790 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 0.6780 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5590 -0.5050 -0.0620 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0260 -0.5200 0.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4120 -1.4570 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4090 -0.3940 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9300 -0.3190 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 0.9160 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0890 0.7830 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 0.6520 -0.7690 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3730 0.4700 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 1.8920 -0.3950 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6400 1.8890 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 2.9360 -0.3690 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8350 -1.7180 -0.1670 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7720 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 2.8560 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9630 0.5100 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0380 -1.2610 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 -0.2430 2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3790 -1.2160 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9720 1.8100 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5240 0.9870 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 1.6620 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5700 -0.1060 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 2.8150 0.1940 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 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 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 37 1 0 0 0 0 M CHG 1 11 1 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 23 -1 M END