IFLAB-ZINC02712436 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 1.5840 -2.9180 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -1.6910 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -2.1210 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -2.4490 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 -2.8440 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -2.9110 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -2.5810 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -2.1820 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -3.3110 0.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -3.1080 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 -2.4980 2.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9780 -3.6400 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8140 -3.2090 2.9430 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.3940 -3.9310 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6110 -4.5590 1.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8570 -6.7120 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7900 -5.1160 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0020 -5.7570 0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8030 -5.0340 2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5360 -4.3640 3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3300 -3.8360 3.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5140 -4.2550 4.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0640 -5.6100 1.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6960 -5.3900 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1320 -4.7820 -0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0620 -5.8840 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8040 -5.7250 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0550 -6.2890 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3300 -6.8890 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0040 -6.7820 1.7700 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -2.6070 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -3.6090 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -3.4140 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -1.1950 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -1.0000 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -2.3970 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -3.1010 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -2.6320 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -1.9210 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 -3.7350 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5160 -3.2000 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9550 -4.7240 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3900 -4.6450 4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3210 -3.7880 5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4780 -6.1660 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4440 -5.2090 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7640 -6.2500 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2640 -7.3800 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 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 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 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 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 21 2 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 M END