IFLAB-ZINC05258172 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 0 0 0 0 0999 V2000 -1.1240 2.1020 1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 1.8050 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 0.5620 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -0.6650 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -1.8060 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -1.7240 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 -0.5000 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 0.6470 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 1.8870 -0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 2.5050 -1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 1.9410 -2.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 3.8970 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 4.3620 -2.8070 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8190 4.2810 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 5.7970 -2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 6.0870 -3.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 3.5060 -4.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 2.6200 -5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9860 3.2000 -5.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0730 2.4460 -5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 -0.4120 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 -1.7890 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 3.0010 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 2.2540 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 1.2600 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 2.6460 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 1.6520 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.7320 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -2.7640 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -2.6170 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 2.3020 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 3.8930 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 4.5760 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 3.1120 -5.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 4.5210 -5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 2.5390 -6.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6620 1.6280 -5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9540 2.3610 -6.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0820 1.4510 -5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0130 2.9520 -5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -0.0760 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 0.2990 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7080 -1.7190 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 -2.1350 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -2.4930 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 6.7520 -2.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 3.5190 -3.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 2.5820 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 7.6570 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 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 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 46 49 1 0 0 0 0 47 48 1 0 0 0 0 M END