IFLAB-ZINC04482831 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 1.5600 -0.6740 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -0.1580 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 1.1070 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 1.8770 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 1.3520 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 0.0700 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 2.1510 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 1.5580 -0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 0.1770 -0.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0400 -0.4560 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0860 0.1500 -0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 -1.9190 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 -2.5120 -1.0360 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 -4.1970 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -5.0740 -1.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -6.3270 -1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8360 -7.4550 -2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 -8.6610 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 -8.7930 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 -7.7070 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6380 -6.4740 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -4.9220 -1.6990 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 3.2280 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 3.9280 -0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -1.6630 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -0.7500 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 1.5010 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -0.3390 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 3.2290 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -0.3230 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 -2.4840 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -2.0540 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9110 -7.3670 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -9.5160 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 -9.7480 -2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 -7.8110 -2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 3.6880 -0.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 4.5490 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 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 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 37 38 1 0 0 0 0 M END