NIH-ZINC04035105 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 75 0 0 1 0 0 0 0 0999 V2000 -0.5090 -1.3130 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -2.2350 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -1.5730 -1.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -1.8160 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -3.0030 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 -3.2740 -1.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -3.8650 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -4.2220 0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 -4.0360 -0.8980 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1740 -4.5520 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 -2.6750 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 -2.8350 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5560 -3.7060 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3560 -4.9080 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 -6.0320 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5970 -6.6850 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5630 -7.3620 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5170 -7.7690 0.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0770 -7.3170 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9300 -6.6610 -0.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9240 -7.6150 -1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1160 -8.3390 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9110 -8.6090 -2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5340 -8.1630 -3.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3490 -7.4410 -4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5530 -7.1710 -2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4020 -8.4940 -4.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0620 -8.0670 -6.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7750 -7.7170 2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.7690 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -0.4700 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 0.3390 -3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 0.8810 -4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 0.6130 -4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -0.1970 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -1.0030 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -0.4070 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -1.8280 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -3.1330 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -2.6050 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -0.9180 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -2.0270 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -3.9080 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -2.8160 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -3.0210 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 -2.0920 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -2.0900 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5190 -3.2770 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6140 -1.8490 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 -3.8870 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2720 -3.2550 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 -4.4890 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -5.9170 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 -6.7970 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4680 -5.4960 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4450 -8.7050 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8320 -9.1730 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0160 -7.0740 -5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6320 -6.6060 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -8.4120 -6.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 -8.5160 -6.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 -6.9740 -6.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9460 -8.7930 3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6460 -7.1880 3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 -7.4510 3.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -0.8530 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 0.5410 -3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 1.5080 -5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 1.0300 -5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -0.3670 -3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 -5.0380 0.2940 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1650 -5.4700 -0.5950 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 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 13 71 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 14 71 1 0 0 0 0 15 16 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 15 71 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 33 34 2 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 71 72 1 0 0 0 0 M CHG 1 71 1 M END