IFLAB-ZINC04854015 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 0.2530 1.5130 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 0.0130 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.7860 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -2.1630 1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -2.7400 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -1.9400 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -0.5640 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -4.4940 0.2960 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -4.7860 -0.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -5.0180 1.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -4.9560 0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -5.0500 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -6.5070 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -7.0610 -0.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -8.1660 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -8.3380 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -7.2960 1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -6.5310 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -5.2910 1.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5910 -5.4840 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -4.1580 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 -3.8000 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 -2.7620 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -2.0780 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -2.4390 3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -3.4820 2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 -1.0560 2.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6300 -0.3970 3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 1.8570 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 1.9660 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 1.8010 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.3360 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.7870 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -2.3910 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 0.0600 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -4.4260 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -4.7100 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -6.5500 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -7.0870 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -8.7970 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -9.1290 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -7.1420 2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 -4.3320 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 -2.4820 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -1.9080 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -3.7660 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 -1.1170 4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 0.0320 3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3730 0.3970 3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END