IFLAB-ZINC04315230 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 0.0140 1.6420 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 0.1210 -0.1290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9160 -0.2790 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -0.3920 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -1.8390 1.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -2.2690 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -1.6920 -1.3430 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8580 -1.8360 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -0.2740 -1.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -2.4090 -1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -2.6600 2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -2.2580 3.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -4.1550 2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -6.2410 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -6.8220 4.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -6.7930 5.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -5.3660 5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -4.7890 4.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -7.4130 6.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -6.8980 7.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -6.0620 7.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -7.7170 8.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -7.6690 9.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -8.7000 10.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -9.7220 10.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -9.7460 9.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -8.7210 8.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -8.5180 7.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 2.0880 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 1.9980 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 2.0100 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 0.0610 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.1270 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 -1.8760 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -3.3570 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -2.3900 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -1.9250 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -3.4570 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -4.5860 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 -4.3520 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -6.8380 2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -6.1730 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -6.2570 4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -7.8520 4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -7.4070 5.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -4.7170 6.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -5.3560 6.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -3.7400 4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -5.3590 4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -6.8770 9.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -8.7050 11.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -10.5100 11.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -10.5380 9.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -4.8490 3.3510 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5070 -4.2510 3.6800 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 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END