NIH-ZINC04042234 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8220 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.6690 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -4.0340 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.5690 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -3.7130 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -2.3490 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -1.2840 3.5930 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -6.0250 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -6.5990 2.9560 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3490 -8.0190 3.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5730 -8.2960 2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -8.9140 3.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -8.2410 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -8.7520 2.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 -6.7830 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -5.9190 2.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -10.3640 3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -11.0530 1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -12.8740 3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -13.2150 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -8.0870 4.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -8.0220 4.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -8.0840 6.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -8.2120 7.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -8.2780 7.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -8.2200 5.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -6.7650 0.9270 O 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 -0.2600 -2.2560 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -4.6900 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -4.1210 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -10.7170 3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -10.5990 4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -10.7000 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -10.8170 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -12.5490 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -12.3890 4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -13.9550 3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -12.9790 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -12.9030 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -14.2900 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -7.9220 4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -8.0320 6.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -8.2600 8.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -8.3780 7.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -8.2750 5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -5.9550 3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -12.5060 2.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 30 2 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 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 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 55 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 55 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END