NIH-ZINC04039239 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 65 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8220 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.5640 0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -2.3790 2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -3.7050 2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -3.7930 3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -2.4950 4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.6520 3.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -0.6840 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -2.0980 5.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -5.0260 4.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -5.3670 4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -6.5900 5.3430 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3720 -7.4940 4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 -6.5090 5.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4920 -5.3910 4.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 -5.0380 4.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 -4.6520 4.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 -3.6050 3.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 -7.4880 5.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 -8.5600 4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4320 -9.5820 5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2380 -10.0400 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 -11.7320 4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -6.5900 6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -7.3900 7.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -7.3570 8.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -6.5340 9.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 -5.7860 8.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 -5.7960 7.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -5.8250 5.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -4.8590 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 -1.9870 5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -1.1510 6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -2.8680 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1510 -6.9850 5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 -7.9550 6.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 -9.0620 4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7580 -8.0930 3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3800 -9.0790 5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0760 -10.0490 5.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2100 -9.6150 3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5930 -9.2590 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3690 -10.8240 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9070 -12.1810 5.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3970 -11.3680 4.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5460 -12.4800 3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -8.0230 6.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -7.9670 9.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -6.5030 10.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 -5.1740 7.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -6.6120 5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -5.1230 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -5.7170 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -4.5720 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -10.6110 3.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 33 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 27 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 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 63 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 63 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 63 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 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END