IFLAB-ZINC04167051 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2430 -0.6500 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.1220 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 1.4370 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.0730 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.1270 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.8250 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -4.1330 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -4.6000 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -3.2240 -0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -5.0490 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 -4.6960 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -5.5870 -1.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 -5.4610 -2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -4.6090 -3.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6810 -6.3770 -2.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3460 -7.4100 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 -6.2110 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9400 -4.7600 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8370 -4.4080 -2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0480 -4.5740 -3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 -6.0240 -3.4330 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4430 -6.6870 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -6.1880 -4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 -6.5500 -4.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9130 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.5700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -0.3630 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.1530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -5.6410 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -4.9300 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -6.0820 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -4.8150 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -3.6630 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6510 -6.2680 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8310 -6.4620 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3350 -6.8740 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -4.0980 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 -4.6420 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1720 -3.3740 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7020 -5.0700 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 -3.9110 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 -4.3230 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 -5.9320 -5.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8510 -6.0520 -6.6870 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 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 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 45 46 1 0 0 0 0 M END