NIH-ZINC06530298 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.0020 1.4940 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.0360 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.5440 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -0.5500 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -1.3080 -0.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -1.7810 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -1.4610 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 -0.6530 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -0.2290 1.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -0.2160 2.4390 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 0.7940 3.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 1.2930 4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 0.9940 4.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 2.0700 5.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 2.6120 6.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 1.8880 7.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 2.4260 8.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 3.6840 8.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 4.4080 8.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 3.8730 7.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 5.7790 8.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 6.0980 9.7910 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 5.7900 9.0830 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 6.7210 7.6790 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 -1.9860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 -1.7370 0.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -2.7560 -1.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -3.0340 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 -3.7310 -2.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -2.5740 -2.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -2.9200 -3.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 -3.2960 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 1.8650 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.8550 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.8500 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -0.3930 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -0.1880 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.6340 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.1720 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 0.1920 3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 1.6440 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 2.2530 5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 0.9060 6.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5150 1.8640 8.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 4.1030 9.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 4.4360 6.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -3.8440 -2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -3.0570 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -2.1170 -3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6430 -2.5920 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 -4.2460 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3830 -3.4530 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 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 42 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 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END