IFLAB-ZINC04503611 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5030 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.6850 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -2.0490 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.7460 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -4.0790 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -4.7310 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -4.0660 0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -2.7360 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -2.1350 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -2.0540 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -0.6940 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -6.4930 -0.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -6.7980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -8.2830 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -9.0580 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -8.7490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -10.1240 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -11.0320 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -12.3880 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 -12.8480 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0650 -11.9420 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 -10.5810 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 -12.3740 -1.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 -13.7450 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7130 -14.6060 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 -14.1900 -0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.8700 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.8480 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -0.1340 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -2.5870 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.1590 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -6.3630 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -6.3420 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -8.1320 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -10.6770 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -13.0920 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5160 -9.8750 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1780 -14.0360 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4860 -13.8790 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3940 -14.4670 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -15.6560 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END