NIH-ZINC02868429 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 6.5620 -0.5080 -0.0620 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0190 -0.5030 -0.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2970 -0.3840 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6300 -1.7940 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1490 -1.7390 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7310 -0.5340 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0900 0.7590 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 0.6670 0.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3910 0.4910 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 1.9040 0.2450 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6420 1.8880 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 2.9480 0.1990 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8480 -1.7270 0.0320 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 8.4020 -1.8920 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 -2.6460 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5970 -2.6530 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3740 -1.6550 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 -0.6340 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8080 -0.4940 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4970 1.6110 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2980 0.8700 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 2.8110 -0.3110 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