IFLAB-ZINC04159468 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 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 0.0290 -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 3.6490 2.1680 -0.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7120 1.5740 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 3.3860 -0.0160 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2290 -2.1860 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -2.6890 -1.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3810 -2.2640 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -4.1990 -1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -4.8390 -1.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -4.7610 -2.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -3.9880 -2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 -4.4220 -3.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -3.5810 -3.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 -4.0130 -4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 -5.4490 -4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5680 -6.0320 -4.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3580 -7.4220 -4.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 -7.6220 -4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 -6.4300 -3.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 -2.2890 -2.2920 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9060 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 -0.4980 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -2.5390 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -2.5630 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -5.7280 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 -3.3090 -4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4170 -5.5240 -5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0180 -8.1850 -5.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 -8.5830 -4.1220 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END