NIH-ZINC04040071 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 1.3090 -3.1200 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -1.8620 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.9030 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 0.1300 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.1810 -0.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 0.3920 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -1.3970 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -2.0040 -2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -3.0870 -2.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.1790 -3.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -1.6680 -4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.3900 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.9590 2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -1.4960 3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -2.1620 2.7660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7180 -1.5640 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -2.0470 3.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -1.7420 5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -1.6990 6.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -1.3990 4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -1.0510 5.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -2.2210 3.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -3.6470 4.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9330 -5.7530 3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -3.6520 2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -3.6190 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -4.4450 2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -5.7880 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -6.3530 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -5.5740 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -4.2080 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -3.4520 0.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -3.0290 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -6.0490 0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -7.3920 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -0.3660 3.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -3.9910 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -3.1500 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -3.2080 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -0.9280 -5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -1.7950 -4.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -2.6100 -4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 2.0370 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 1.1690 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.9500 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 -1.5480 4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -1.8630 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -4.3090 4.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 -3.6550 5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5150 -5.9990 4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 -6.1520 3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 -6.1370 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 -2.5780 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -3.8520 3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6710 -4.1130 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -4.0660 3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -6.4040 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -7.4090 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -2.5630 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -3.8620 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -2.2800 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -7.5830 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -7.5470 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 -8.0970 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -0.4450 4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 -4.2540 3.0570 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3110 -4.0670 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 36 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 26 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 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 66 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 66 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END