IFLAB-ZINC05258763 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 56 0 0 1 0 0 0 0 0999 V2000 -1.8060 1.6090 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 0.1710 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.1360 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.7000 -2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -2.0470 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -2.5620 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -4.4940 0.2880 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3460 -3.7060 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 -5.6510 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -5.1320 2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -3.9530 2.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -5.9780 3.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -5.4800 4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -4.2510 5.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -3.7610 6.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -4.4960 7.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -5.7240 7.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -6.2180 5.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -7.5310 5.3140 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6620 -8.2220 6.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -7.9190 4.1800 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6520 -4.0120 8.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -2.7420 9.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -2.3660 10.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 -4.9890 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -4.9080 -2.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 2.1920 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 2.0500 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 1.6090 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 0.1700 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -0.2710 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -0.4690 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 0.9530 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -0.4430 -3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -0.2740 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -1.7840 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -2.1950 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -2.5930 -1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -1.9600 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -2.4920 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 -6.1020 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -6.4000 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -6.9320 3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -3.6790 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -2.8050 6.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -6.2950 7.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -1.9860 8.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -2.7950 8.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -3.1210 11.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -2.3120 10.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -1.3960 10.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.6150 -0.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -3.9640 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -4.5320 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 -5.5200 -1.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8940 -5.8230 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 52 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 52 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 53 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END