IFLAB-ZINC04376094 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 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 -0.7210 1.5710 -1.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 1.7800 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 2.2470 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 2.4900 -3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 2.2530 -3.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.8130 -2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.6200 -2.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 3.0570 -4.9260 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 2.4570 -2.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 2.2240 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 1.7610 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 1.5500 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 2.4560 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 2.9180 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2280 3.1310 -2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9380 2.8880 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2850 2.4290 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 2.2070 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2720 3.1000 -1.0040 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 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 2.4070 -4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6390 1.5740 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3120 3.1080 -3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7420 3.4890 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8420 2.2400 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 1.8450 0.9480 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 7 1 0 0 0 0 3 4 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END