NIH-ZINC00245420 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0520 0.8660 3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 0.7000 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 3.0110 1.9710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2900 3.2350 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 3.8380 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 3.9200 1.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 2.8190 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 1.6850 1.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 3.1670 0.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 2.3020 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 0.9070 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 0.1170 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 0.7130 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 2.1020 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9050 2.8950 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 2.8490 -2.4240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 3.4070 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 3.4610 1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 3.8120 2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 4.0990 3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 4.0580 4.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 3.7180 3.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -0.1400 3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 0.8150 3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 1.4550 4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 0.7000 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -0.3180 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 1.1490 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 4.8790 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 3.4490 3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 4.8420 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1030 4.1550 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 0.3970 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 -0.9670 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5440 0.0940 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 3.9770 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 3.2360 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 3.8620 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 4.3780 4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 3.7000 4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 1.5020 2.0470 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0780 1.4220 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 41 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 41 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END