IFLAB-ZINC04271857 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.6990 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0790 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7720 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0660 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.2550 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.9500 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -6.3320 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -6.9490 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -6.2090 1.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -4.9260 1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -8.7060 0.1790 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -8.9950 1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -10.4770 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -11.1510 2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -12.5150 2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -13.1520 2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -12.4790 2.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -11.1810 2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1610 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6210 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5980 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1390 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -4.4240 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -6.9170 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -8.5330 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -8.5580 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -10.6260 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -13.0710 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -14.2150 2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -10.6620 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 M END