NIH-ZINC06530600 MOE2007 3D CORINA 3.40 0006 02.08.2006 75 79 0 0 1 0 0 0 0 0999 V2000 -0.8760 0.9880 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -0.4750 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -0.9240 1.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6090 -0.7080 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -2.4040 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -2.9790 0.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -4.3230 1.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -4.5840 1.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -3.3960 1.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -3.3240 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -3.6710 0.8850 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5470 -3.2190 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -3.2550 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 -4.2100 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 -5.4850 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -5.0920 0.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -0.1250 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -0.3870 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -0.4900 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3940 -0.8120 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 -2.1510 -0.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 -2.3480 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 -2.1100 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 1.1660 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 1.4710 3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 2.6810 3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 2.8950 4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 4.1510 5.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 4.3300 6.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 3.2440 6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 1.9880 6.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 1.8190 5.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 0.5570 5.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 0.3180 4.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -0.8020 4.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 5.6870 6.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 1.6400 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 1.1590 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 1.2850 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -1.0690 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -0.7080 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -4.0120 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -2.3100 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -3.4270 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -2.2030 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -4.3280 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -3.8670 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -6.0680 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -6.1180 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 0.8520 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.8810 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 0.5070 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 -1.2360 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 -1.1670 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 0.5520 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 -0.1150 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 -0.7250 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 -1.6870 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 -3.3800 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -2.2070 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 -2.7950 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 1.1120 2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 1.9530 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 3.5400 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 5.0000 4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 3.3740 7.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 1.1610 7.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -0.2260 5.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 6.2430 7.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6110 5.6030 6.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 6.2570 5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -0.1590 1.6530 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7230 -0.7760 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 -0.6880 0.1600 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8540 -0.0270 -0.6250 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 5 1 0 0 0 0 3 72 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 72 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 74 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 74 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 74 1 0 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 72 1 0 0 0 0 25 26 2 0 0 0 0 25 34 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 31 2 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 34 35 2 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 72 73 1 0 0 0 0 74 75 1 0 0 0 0 M CHG 1 72 1 M CHG 1 74 1 M END