IFLAB-ZINC05251717 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 1.2080 1.3820 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 2.1170 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 3.4980 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 4.1730 -2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 3.4690 -3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 2.0890 -3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 1.4070 -2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 0.0100 -2.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -0.6800 -3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -2.0740 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.7190 -4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -2.0020 -5.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -0.6820 -5.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -0.0250 -4.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 0.0360 -7.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -0.4910 -8.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 0.5360 -9.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 1.7270 -8.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 1.4290 -7.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 0.4220 -10.7060 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5860 -0.6750 -11.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 1.4250 -11.3970 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4400 -4.2220 -4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 1.1770 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 0.4420 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 1.9960 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 4.0510 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 5.2520 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 3.9990 -4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 1.5390 -4.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.4760 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -2.6350 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -1.5400 -8.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 2.7220 -8.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -4.5210 -4.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.5770 -5.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -4.6540 -4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END