NIH-ZINC06498813 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 0.1150 1.4770 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.0260 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -0.4680 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -1.8870 0.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -2.4920 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -3.8800 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 -4.6220 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -3.9850 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -2.5890 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -1.8500 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 -4.8060 -0.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1770 -5.8740 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 -4.5900 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2740 -3.8140 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4760 -3.7870 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4350 -3.2830 0.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -4.4350 0.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2860 -4.7240 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5090 -3.6480 3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -5.0990 5.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0800 -2.6310 5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0120 -3.2470 -1.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 -5.0720 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3430 -4.8500 -3.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -5.8680 -2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -7.2590 -2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -7.5590 -2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -6.4100 -2.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -6.3510 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -5.3770 -3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -4.0270 -3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -8.8020 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -9.8710 -1.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -8.5940 -2.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -9.7530 -2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4130 -8.2050 -2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 1.7650 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 1.8060 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 2.0100 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.5420 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -0.3400 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 0.0160 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -0.1910 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -4.3890 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -5.7030 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9990 -2.0510 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 -0.7750 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3010 -4.7940 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 -5.7080 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 -3.6480 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 -2.6580 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 -5.0890 4.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 -5.9550 4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0560 -5.1240 6.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6420 -1.7550 4.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -2.5270 5.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2380 -2.7820 6.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 -5.2870 -4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -3.6880 -2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -4.0510 -4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -3.2860 -3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -10.1060 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -10.5420 -2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -9.4720 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3970 -9.0990 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 -8.5120 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4060 -7.7550 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6150 -3.8380 4.5830 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.6150 -3.8950 4.8190 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 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 23 2 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 68 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 68 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 68 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 34 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 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END