IFLAB-ZINC04275311 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 0.2800 1.6340 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.1240 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.5710 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -2.0620 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -3.0440 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -4.3350 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -4.3480 0.0780 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -2.6490 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -1.9120 -1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -2.1320 -2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -2.3180 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -5.5130 2.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -6.8000 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -7.1420 0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -7.8740 3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -7.7990 4.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -8.8310 5.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -9.9510 4.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -10.9940 5.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -12.1030 5.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -12.1850 4.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 -11.1590 3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -10.0340 3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -8.9920 2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -2.7400 3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -2.5070 4.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -0.0960 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 1.8410 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 2.1480 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 2.0840 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -0.1970 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.3180 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -3.1800 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -1.5280 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -1.8640 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -2.2350 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -1.7000 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -3.3590 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -5.4080 3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -6.9680 4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -8.7590 5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -10.9510 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -12.9030 6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -13.0500 4.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -11.2440 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -9.0470 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 0.2920 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -1.1510 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 0.4230 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.3910 -1.1100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1230 0.0520 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -0.0300 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 50 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 46 1 0 0 0 0 25 26 3 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END