IFLAB-ZINC05154168 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3420 0.0090 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 1.3180 -0.3820 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 0.7470 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -1.7560 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -2.2260 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -3.6600 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -4.1110 -2.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -5.4630 -3.2040 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 -5.6520 -4.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -5.3180 -2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -6.8340 -2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -7.5310 -3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -8.6140 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -9.0020 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -8.2880 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -7.2160 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -8.6670 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -10.1780 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -10.6510 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -11.5390 0.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -10.1010 -0.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -10.6590 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -10.7550 -2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -9.3450 -3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.9650 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.6600 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 0.7930 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -1.7890 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -2.4090 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -2.1920 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -1.5730 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -3.6940 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -4.3140 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -3.6170 -3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -7.2290 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 -6.6730 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -8.3630 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -8.1600 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -10.6770 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -10.4180 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -11.6520 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -10.0050 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -11.3550 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -11.2140 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -8.7960 -3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -9.4100 -4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END