PUBCHEM-ZINC04764703 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.6110 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 0.0490 1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -2.1150 1.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1990 -2.4930 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -2.6820 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -4.2100 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -4.8810 1.0980 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -6.6730 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -2.5280 2.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -2.6030 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -2.3290 1.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -3.0270 3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -3.0290 3.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -3.3780 4.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.6900 5.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 -3.3800 3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 -3.7920 5.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3370 -3.8680 5.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9530 -3.5930 4.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 -4.2460 6.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4460 -4.3050 6.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0080 -4.7450 7.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -6.0890 7.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7160 -6.4930 8.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0400 -5.5520 9.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8500 -4.2070 9.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3380 -3.8040 8.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -2.3760 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -2.3030 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -4.5150 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -4.5880 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -6.9900 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -7.1880 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -6.9170 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -2.7470 3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -2.3300 4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -4.0290 3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 -2.7790 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 -4.0770 3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5890 -2.3780 3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4990 -4.0110 5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7370 -5.0180 5.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8360 -3.3180 5.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9460 -6.8250 7.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8640 -7.5430 9.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4420 -5.8670 10.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1030 -3.4720 10.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1930 -2.7530 8.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END