IFLAB-ZINC02455878 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 0.1060 1.4250 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 0.7180 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 0.0320 1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 0.0530 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 0.7630 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 1.4480 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.6420 0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 -0.0730 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -1.0160 -0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 -2.2460 -0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 -1.9810 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -3.1350 0.5050 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 1.4040 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 1.6720 -0.5030 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 3.4310 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 4.0470 -0.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1630 5.3660 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9960 6.1040 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 5.4280 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 4.1070 -0.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 1.9580 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 0.7030 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -0.5190 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 0.7810 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 2.0010 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -3.1240 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 1.8120 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 1.9040 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 5.8620 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 7.1820 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8740 5.9730 -0.4510 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 M END