IFLAB-ZINC05258221 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.1770 1.5600 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 0.1220 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.2370 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -1.5690 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -2.5690 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -2.2160 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -0.8850 1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -0.5340 3.3510 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -3.9330 -0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -4.5110 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -3.9590 -2.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -6.0120 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -6.5450 -2.9040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2080 -6.2170 -3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -8.0840 -2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -8.4780 -3.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -6.1400 -5.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -6.1410 -6.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -6.4110 -7.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 -6.8070 -9.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 1.9360 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 1.6670 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 2.1970 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 0.5190 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -1.7860 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -2.9740 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -4.5480 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -6.4720 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -6.2710 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -5.2880 -5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -7.0710 -5.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -5.1780 -5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -6.9130 -5.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -7.3700 -7.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -5.6060 -7.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -6.0180 -10.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -7.7810 -9.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -6.8360 -10.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -8.6960 -2.3960 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8740 -6.0430 -3.7930 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1550 -5.0860 -3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -6.7420 -3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -6.4900 -8.1950 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5100 -5.6010 -8.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -7.2080 -7.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 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 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 27 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 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 43 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 43 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 39 -1 M CHG 1 40 1 M CHG 1 43 1 M END