IFLAB-ZINC04104761 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 -0.2920 -0.7330 2.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1200 -0.1330 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -2.2400 2.4840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3490 -2.4010 3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -2.7460 1.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -1.6540 1.9020 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9400 -1.5070 2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -0.4140 1.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0860 0.5430 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -0.5190 0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -1.8990 0.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -2.7090 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 -2.6920 -0.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 -1.8720 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8240 -1.3600 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -0.5160 1.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 -0.1630 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 -0.6250 0.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 -1.4740 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4270 -1.8950 -1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -2.9450 1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -4.3440 2.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -5.1100 1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 -4.6230 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -6.5420 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -7.3400 1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -8.6760 1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -9.2270 2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -8.4430 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -7.1040 2.9570 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 -2.6060 -3.2800 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1930 0.5190 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3130 -0.3400 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -2.8710 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -2.4710 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -6.9110 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -9.2940 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -10.2740 3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -8.8800 3.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -6.4920 3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -0.1520 -1.3050 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 0.1380 -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