NIH-ZINC02975388 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 0 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 1.2150 -0.6640 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.3320 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 2.0610 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 1.9990 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.0480 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 1.8150 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1120 2.8590 0.8040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 3.7660 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 2.9230 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2110 2.9820 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 2.2240 1.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 4.0590 2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 3.9800 3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6850 5.0270 4.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2440 4.7610 5.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 3.6660 5.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3200 5.8300 6.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8850 5.6300 7.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 6.6620 8.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 7.9000 8.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9320 8.1030 7.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 7.0750 6.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2730 7.2410 4.9370 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6400 8.0940 4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1860 6.2300 4.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7320 6.4890 2.4540 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 8.7350 9.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 7.8800 10.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 6.7290 10.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9240 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.5620 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -1.7440 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 3.1410 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 0.5050 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 0.3440 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8690 1.1300 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 2.2740 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 4.3710 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 4.4130 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 3.5780 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 2.3540 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 5.0360 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4670 3.9180 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7200 3.0030 3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4310 4.1200 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4800 4.6750 8.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 9.0610 6.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2920 7.5940 11.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7200 8.3730 11.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.0080 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 52 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 52 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 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 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 22 23 2 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M END