NIH-ZINC04040062 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 -2.2280 -1.3570 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -1.2700 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -0.8910 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -0.8550 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -1.2620 -0.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -1.3510 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -1.5460 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -2.0320 -2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -2.2880 -2.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -2.1690 -3.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -2.6440 -4.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -0.5060 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -0.6000 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -1.5040 3.5290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8930 -0.8400 4.7770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7120 -1.5010 5.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -1.0210 5.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -1.9400 5.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -2.3790 6.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -2.3810 4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -3.3060 3.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.4280 7.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -1.2270 8.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 0.6300 9.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -1.7440 10.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 0.5470 4.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 1.6950 4.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 2.9670 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 3.1190 4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 2.0000 4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 0.7150 4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -0.4490 4.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 -0.4780 4.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 2.0680 3.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 3.3500 3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 0.2550 2.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -0.7220 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -1.0110 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -2.3890 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 -1.9410 -4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -2.7140 -5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -3.6390 -4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 -1.0660 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -0.7410 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 0.5630 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -0.4270 7.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 0.6110 7.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -1.1560 7.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -2.2830 8.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 0.6360 9.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.3390 9.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 0.8710 10.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -2.7060 10.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -1.8180 10.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -1.3860 11.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 1.6080 4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 3.8440 4.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 4.1300 4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 0.1440 5.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6260 -0.1930 4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -1.5120 5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3170 3.2060 3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 3.9760 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 3.8400 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.1370 3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -0.7510 9.5420 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.7220 9.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 36 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 65 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 66 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 66 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END