IFLAB-ZINC04478967 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 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 3 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 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -0.9110 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -1.3690 2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.4190 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -1.0100 3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.5480 2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -0.6430 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -0.3410 -2.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -1.1640 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -1.2160 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -2.2010 -3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -3.4870 -2.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -3.5090 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -2.5770 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -0.2540 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 0.0130 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 0.8810 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 1.3180 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 0.6240 -0.8920 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 2.5540 -0.8730 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.6890 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.7770 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -1.0490 4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -0.2250 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.7520 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0410 -1.5460 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -0.2240 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -2.2740 -4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -1.8490 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -4.5250 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -3.1740 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -2.5580 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -2.9340 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -0.4160 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 1.1800 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 1.9980 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 M END