IFLAB-ZINC04942522 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.2820 1.2420 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.2140 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -1.0860 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -0.8730 0.1380 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -2.1160 0.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 0.1620 0.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -1.2540 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -2.5530 -1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -2.9130 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -1.9360 -4.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -0.6200 -3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -0.2300 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 1.1490 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 2.0280 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 1.6220 -4.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 0.2720 -4.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -0.5950 -5.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -0.2230 -6.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -1.8860 -5.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 -2.9630 -6.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -3.4140 -6.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 -3.5940 -6.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -4.7770 -6.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3520 -5.3280 -6.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 -4.7000 -5.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 -3.5870 -5.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 -3.0270 -5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 1.4860 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 1.6520 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 1.6700 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -1.3020 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -2.0170 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -0.5870 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -3.3380 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -3.9560 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 1.5100 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 3.0860 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 2.3580 -5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -5.2460 -7.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5880 -6.2390 -7.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3010 -5.1290 -5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 -2.1180 -4.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 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 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 M END