NIH-ZINC00088136 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 1.3730 1.0620 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -0.2520 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -0.6780 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 0.2610 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 1.5810 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.9890 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 2.2360 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 1.3020 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 0.1230 -1.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8430 -0.7300 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 3.6470 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 5.3650 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 5.5490 2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 4.8540 3.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 3.4320 3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 3.2100 1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 5.5730 4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 6.7950 4.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 4.8450 5.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9440 5.2090 6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 4.5530 7.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 3.5480 7.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 3.2160 7.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 3.8620 6.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 2.2580 8.2000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 1.3710 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -0.9580 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -1.7010 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 3.0100 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 1.3740 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 3.9700 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 4.3040 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 5.7810 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 5.8230 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 6.6170 2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 5.1280 2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3310 3.0120 3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 2.9050 3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 3.6480 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 2.1400 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4350 6.0020 5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6580 4.8310 7.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5210 3.0310 8.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 3.5980 6.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 3.8810 0.9360 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0120 3.4440 1.1080 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 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 30 1 0 0 0 0 9 10 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END