IFLAB-ZINC04553802 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.1860 1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.1910 2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -0.6760 3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.1820 4.8990 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7520 -0.5600 4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -0.6820 6.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -1.4640 7.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -1.7960 8.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -1.2830 7.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -0.3280 6.5150 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 1.6310 4.9090 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 2.1480 4.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 2.1230 3.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 2.0530 6.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 2.2480 7.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 2.5720 8.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 2.6400 8.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 2.2880 6.7630 S 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 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.3560 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -1.7660 3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.2990 3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -1.8120 7.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -2.4230 8.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -1.4340 8.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 2.1590 7.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 2.7550 9.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 2.8780 9.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 M END