IFLAB-ZINC02711865 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.5660 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0880 4.1600 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 4.1890 0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2320 -2.4410 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -2.8280 0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -2.8620 0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.9230 -1.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -3.1580 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -3.5820 -3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -3.5390 -3.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -3.1780 -2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -3.0220 -1.7280 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -3.4900 -3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -3.4280 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -2.2540 -3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -2.1960 -2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 -3.3120 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9530 -4.4870 -2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -4.5460 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 -6.0220 -2.1450 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.3500 -3.2390 -1.9530 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -2.2430 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -3.9580 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -2.8780 -4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 -4.5920 -4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -2.8030 -4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -4.5050 -3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 -1.3820 -3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -1.2780 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 -5.3590 -1.7220 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END