IFLAB-ZINC04104763 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6950 -0.4960 1.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -0.7200 2.1820 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1170 -0.1240 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -2.2380 2.4710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0990 -2.8120 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -2.4500 2.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -1.6380 1.8940 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4390 -1.2860 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -0.4180 1.4990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0810 0.5440 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -0.5190 0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -2.4160 0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -3.5120 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -3.9510 -0.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -3.1660 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -2.1790 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 -1.2640 -0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -1.2760 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8380 -2.2060 -2.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -3.1610 -2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 -4.0030 -3.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -2.6110 3.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -4.0520 3.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -4.5490 4.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -3.7980 5.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -6.0060 5.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -6.5240 6.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -7.8850 6.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -8.7380 5.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -8.2310 4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -6.8710 4.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -0.5140 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -3.9500 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 -0.5200 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 -2.1840 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -2.2730 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -2.1330 4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -5.8600 6.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -8.2870 7.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -9.8030 5.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -8.9020 3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -6.4770 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -0.1520 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -1.6040 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -0.1480 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 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 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 43 1 0 0 0 0 30 31 1 0 0 0 0 30 44 1 0 0 0 0 31 32 2 0 0 0 0 31 45 1 0 0 0 0 32 33 1 0 0 0 0 32 46 1 0 0 0 0 33 47 1 0 0 0 0 34 48 1 0 0 0 0 34 49 1 0 0 0 0 34 50 1 0 0 0 0 M END