NIH-ZINC01813679 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 3.0240 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 3.4550 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 4.9150 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 5.8140 -0.6740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0400 5.6960 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 7.2450 -0.3930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3900 8.0470 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 9.5110 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 10.2590 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 11.6300 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 12.2740 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 11.5360 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 10.1630 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 12.3470 -1.6050 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 13.6260 -0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 14.3220 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 7.4840 0.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 7.0630 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 7.9350 1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 5.5960 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 5.0840 1.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 5.5180 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 5.5700 -2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 5.2980 -4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 4.9750 -4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 4.9240 -4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 5.1910 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 4.7100 -6.1780 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 1.5250 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.0040 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.3960 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 3.4700 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 3.3560 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 3.1230 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 3.0090 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 9.7600 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 12.2070 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 9.5910 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 15.3930 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 14.1160 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 13.9870 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 7.7300 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 5.8220 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 5.3380 -4.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 4.6720 -4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 5.1470 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 52 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 19 2 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 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END