NIH-ZINC06498956 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 68 0 0 1 0 0 0 0 0999 V2000 0.5800 2.2580 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 0.8270 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -0.0190 -2.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -1.3640 -2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -2.1520 -3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -3.5430 -2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -4.1760 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -3.3760 -1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -1.9830 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -5.6900 -2.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8480 -6.1000 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -6.2990 -2.3140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7090 -6.8240 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -6.7500 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -7.1670 1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -6.1260 -0.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -5.9320 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -4.8250 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -3.2960 2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -5.7390 2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -7.2750 -0.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -7.4360 -3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -8.3260 -3.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -7.4920 -4.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -8.6410 -4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -8.2470 -5.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -6.9190 -6.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -6.3780 -6.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -6.4470 -5.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -5.0450 -5.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -9.0180 -6.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -10.2100 -6.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -8.2040 -7.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 -8.8580 -8.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -10.0030 -4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 2.5460 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 2.3610 -3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 2.9510 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 0.7500 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 0.5600 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 -1.6760 -3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -4.1230 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -3.8220 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -1.4120 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -6.8870 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -5.7240 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -3.8760 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -5.0500 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -3.3500 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -2.4900 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 -3.1520 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 -6.6290 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -5.8960 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 -5.4740 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -5.5530 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -4.9820 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -4.6610 -6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -4.3930 -4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 -9.6560 -8.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0980 -9.2530 -7.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -8.1180 -9.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -10.3960 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -10.6900 -4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -9.9960 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -4.5980 1.5010 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8590 -4.5030 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 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 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 21 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 65 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 65 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 65 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 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 65 66 1 0 0 0 0 M CHG 1 65 1 M END