IFLAB-ZINC02712784 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -2.0340 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -2.6150 1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.1400 2.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 1.0770 2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 1.8650 2.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 1.4580 4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 2.8590 4.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 3.9060 4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 5.2130 4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 6.1740 4.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 5.3840 5.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 6.2760 5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 4.3210 5.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 4.4900 6.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 3.0740 5.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 2.3210 5.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -2.3060 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.4040 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -3.5800 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -0.7700 2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 1.4140 4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 0.7660 5.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 3.7500 3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 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 M END