NIH-ZINC04103495 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 0.0040 1.6880 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 0.1850 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -0.5230 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -1.9250 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.6180 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -1.9000 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.5040 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.8630 -2.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -2.6840 -3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -4.0980 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -3.9700 -0.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -5.4000 -2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -5.5900 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -6.9420 -3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -6.9240 -3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -5.5680 -3.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -8.3730 -5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -8.0990 -6.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -6.9320 -7.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -9.1650 -7.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -8.8840 -9.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -9.2120 -9.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -10.6950 -9.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -11.6220 -8.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -11.6560 -8.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -10.5420 -7.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 2.0470 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 2.0930 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 2.0790 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 0.0170 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -2.4670 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 0.0270 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -6.1950 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -4.7910 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -5.5170 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -7.0190 -4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -7.7740 -2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -7.7470 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -7.0030 -4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -5.4760 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -4.7720 -3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -9.1290 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -8.6800 -5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -7.8170 -9.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -9.4170 -9.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -8.8540 -8.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -8.6670 -10.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -10.8270 -9.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -11.0060 -10.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -11.3560 -7.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -12.6360 -8.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -12.6110 -7.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -11.6430 -9.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -10.5940 -7.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -10.7270 -6.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -7.0840 -4.5420 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4870 -6.3360 -5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 56 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 56 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 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 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END