NIH-ZINC06578075 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -2.7510 0.0580 4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.9070 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -1.0330 3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -2.1650 2.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -2.7970 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -3.8860 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -4.3790 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -3.7730 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -2.6190 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -1.8670 2.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -0.2220 3.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -0.6970 3.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 1.2380 3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 2.0800 4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 3.4490 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 4.4560 4.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 3.3230 2.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 1.9380 2.2670 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1970 1.7000 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 1.6670 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 1.1750 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 0.9080 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 1.1320 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 1.6140 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 1.8800 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 0.8810 -2.3270 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 4.4380 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 5.1910 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 6.4060 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 6.5280 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 8.5920 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 1.8080 5.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 0.9510 3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -0.3910 4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 0.3590 4.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -2.3850 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -4.4120 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -5.2590 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -4.1450 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 0.9870 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 0.5240 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 1.7750 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 2.2540 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 4.0650 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 5.1240 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 5.5050 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 4.5160 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 6.1250 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 7.0660 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 6.2960 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 5.6210 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 7.2030 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 9.0850 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 8.4830 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 9.1530 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 2.6670 6.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 7.2180 -0.1020 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8660 7.3590 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 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 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 57 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 57 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 57 1 0 0 0 0 32 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END