NIH-ZINC04040062 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 -0.3400 2.7340 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 1.4490 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 0.2580 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -0.6830 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.1110 -0.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -0.5660 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 1.1900 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 2.0580 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 3.2270 -1.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 1.3710 -2.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 2.1310 -3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -2.0710 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 0.0690 2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -0.7410 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -0.9940 4.8470 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2970 -0.0440 5.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -1.7260 4.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -2.0690 3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -2.6790 3.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -1.5120 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -1.6940 1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -2.0390 6.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -0.9510 6.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 0.0440 8.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 -2.4030 7.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.7610 5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -3.1440 5.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -3.8290 5.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -3.1450 6.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -1.7650 7.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -1.0820 6.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 0.2860 6.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 0.8280 7.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -1.0130 7.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -1.6700 8.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 0.8460 3.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 3.5150 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 3.0560 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 2.6450 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 1.4860 -4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 2.4560 -4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 2.9900 -3.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -2.7830 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -2.3320 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -2.1930 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -2.9900 5.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -2.1840 6.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 0.0260 6.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 -0.9040 5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2970 0.2220 7.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 0.8900 8.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -0.1470 9.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -3.2810 7.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3710 -2.3150 7.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 -2.4640 8.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -3.7060 4.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -4.9000 5.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -3.7210 7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 0.1150 8.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 1.2000 7.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.6840 7.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -0.9170 8.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -2.4190 9.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 -2.1120 7.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 0.6690 4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -1.1760 7.7910 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9470 -1.3080 8.4670 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 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 20 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 36 65 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END