NIH-ZINC04196220 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2130 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.8480 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 4.2720 -0.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 4.2320 -0.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 4.3310 1.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 4.0490 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 3.7570 3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 3.4630 4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 4.6770 4.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 4.9700 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 5.2630 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -0.8080 -0.0390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.0390 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -2.7070 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -4.1980 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -4.6440 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -5.0360 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -6.4850 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -7.2000 -0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5840 -6.9060 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -8.7260 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -9.2120 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -8.0430 1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 -6.8680 1.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9720 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 4.7990 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 3.1840 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 4.6220 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 2.8920 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 3.2550 5.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 2.5980 4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 5.5420 5.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 4.4680 5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 5.8340 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 4.1040 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 5.4720 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 6.1290 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -2.4280 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -2.4190 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -4.6790 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -6.7640 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -6.7740 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -9.1750 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -8.9620 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -10.1370 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -9.3360 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -8.1320 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -8.0130 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 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 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END