IFLAB-ZINC02959812 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3810 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 1.2430 -0.6390 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 0.1350 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -0.5180 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 0.0000 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -1.8600 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 -2.6070 -0.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -2.6410 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.1060 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -2.8170 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -4.0980 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -4.6140 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -6.1350 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -8.0460 2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -8.5000 4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -8.2940 4.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -6.8780 4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -6.4240 3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -8.7660 6.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -8.6640 7.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -9.1300 8.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -9.7000 8.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -9.8020 8.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -9.3410 6.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -10.1550 10.1330 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 1.4550 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 2.0780 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.9130 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -0.5740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -4.5510 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -4.3610 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -4.1600 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -4.3500 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -6.5880 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -6.3980 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 -8.1710 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 -8.6460 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 -9.5580 4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -7.9190 4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -6.7540 5.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -6.2780 5.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -7.0050 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -5.3660 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -8.2200 6.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -9.0510 9.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -10.2460 8.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -9.4250 6.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 3.1580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -6.6300 2.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 27 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 27 28 1 0 0 0 0 28 49 1 0 0 0 0 M END