NIH-ZINC04400715 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 2.0800 0.5680 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -0.4560 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.7020 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -1.6470 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.1190 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -1.1760 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -0.9550 -1.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -0.7800 -2.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.8440 -2.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -4.2810 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -5.0340 -3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -4.7740 -4.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -3.2670 -4.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -2.5650 -3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -5.4450 -5.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -5.7960 -6.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -5.5570 -5.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -6.4870 -7.5900 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9370 -7.2110 -7.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -5.4500 -8.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -6.1510 -9.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -6.4450 -10.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -7.0910 -11.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -7.4410 -12.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -7.1460 -12.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -6.5050 -10.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -6.2200 -10.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -6.6150 -11.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -7.3800 -11.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -8.0460 -13.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -7.1770 -7.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 -6.4780 -8.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -5.2760 -7.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 -7.1880 -8.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -1.9130 1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 0.0880 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 1.0020 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 1.3540 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.1610 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -4.4520 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -4.6410 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -4.6850 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -6.1030 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -5.1590 -3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -2.8890 -5.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -3.0720 -5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -2.9330 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -1.4900 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -5.6370 -5.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -4.7780 -8.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -4.8750 -8.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -6.1720 -9.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -7.9430 -13.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -7.4180 -12.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 -6.3290 -10.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 -6.1200 -12.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 -7.6950 -11.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -8.2170 -13.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -9.0020 -13.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -7.4270 -13.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -8.1380 -8.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -7.9270 -7.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 -6.4630 -8.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 -7.6870 -9.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -1.2500 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -2.9500 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -1.7310 2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -2.3190 -0.2600 N 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 35 1 0 0 0 0 4 68 2 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 5 68 1 0 0 0 0 6 7 1 0 0 0 0 7 8 3 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 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 52 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 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 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END