NIH-ZINC00452830 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.2550 1.6180 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 0.0950 0.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1280 -0.3110 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.3300 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -0.0490 1.3070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3310 1.0370 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -0.6640 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.5000 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -0.6450 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 0.1930 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -0.2510 -4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -1.2000 -4.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 0.5310 -6.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 0.4030 -7.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -0.5680 -7.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -0.6300 -9.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 0.2780 -9.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 1.2460 -9.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 1.3130 -8.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 2.3740 -10.7520 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -0.5830 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 2.1290 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 1.8950 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 2.0090 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 0.1710 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -1.4070 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 -0.3700 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -1.7580 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -1.5930 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.1080 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -1.7050 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -0.5600 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 0.0810 -3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 1.2540 -3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 1.2810 -5.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -1.2980 -6.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -1.3920 -9.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 0.2240 -10.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 2.0800 -8.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -1.6690 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -0.3540 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -0.1260 3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -0.1500 -1.1790 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0740 0.8740 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 43 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END