NIH-ZINC04039051 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0240 -0.8270 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.1280 0.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.3320 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.4840 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.4450 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -3.2410 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.0570 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7730 -1.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.4170 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 0.1960 3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 0.6950 4.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5980 1.4650 4.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 1.2580 4.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 1.1320 3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 1.5030 3.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.4680 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 0.2070 1.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 1.8600 5.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 0.7800 6.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 0.4340 8.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 1.1210 9.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 1.6120 10.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 2.5400 9.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 1.8670 8.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -0.4480 5.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.6290 6.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -1.6940 6.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -2.5350 7.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -2.3340 6.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -1.3340 5.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -0.6180 3.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -3.3690 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -5.4340 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -5.3630 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -3.1990 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 2.6280 5.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 2.3100 6.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 0.0120 6.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 0.3300 5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 0.1080 7.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 -0.4300 8.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8070 0.4040 10.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7970 1.9520 9.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 2.8500 10.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 3.4120 9.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 1.0260 8.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 2.5880 8.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 0.0450 5.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -1.8640 7.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -3.3670 7.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -1.2030 5.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -0.3040 4.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 1.3830 7.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 58 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 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 M END