IFLAB-ZINC04499859 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 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 0.0630 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 -0.6930 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -6.4930 -0.0190 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 -0.0340 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 -11.0310 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -12.3890 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 -12.8470 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0650 -11.9410 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 -10.5800 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1570 -12.3900 -1.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0190 -11.4030 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -14.1840 -0.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -15.0570 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0510 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 0.9610 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 -0.0190 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 0.9040 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 -2.9650 -10.6760 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -13.0920 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5160 -9.8750 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8490 -11.8950 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4060 -10.7580 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4590 -10.8030 -2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -14.8940 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -14.8500 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -16.0920 0.0300 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 26 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 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END