NIH-ZINC04042234 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 0.0140 1.6540 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 0.1420 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -0.3940 0.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -1.7560 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.6650 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -4.0420 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -4.5390 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -3.6380 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -2.2590 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -1.1980 3.0300 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -6.0170 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -6.5990 2.9620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3020 -8.0110 3.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5130 -8.3500 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -8.9450 3.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -8.3300 2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -8.8340 2.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -6.8700 2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 -6.0420 2.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -10.3890 3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -11.1130 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -13.2620 3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -13.2830 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -8.0340 4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -8.0500 4.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -8.0560 6.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -8.0400 7.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -8.0130 7.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -8.0080 5.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -6.7470 0.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 1.9490 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 2.1170 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 2.0490 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -0.1250 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -0.2280 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -2.3400 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -4.7220 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -3.9740 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -10.7460 3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -10.5960 4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -10.9110 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -10.7900 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -13.0370 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -12.8650 4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -14.3400 3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -12.8450 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -13.1100 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -14.3510 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -8.0550 4.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -8.0660 6.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -8.0410 8.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -7.9920 8.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -7.9840 5.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -5.9230 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -12.6210 2.1260 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1090 -12.8030 2.5550 H 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 55 56 1 0 0 0 0 M CHG 1 55 1 M END