PUBCHEM-ZINC06227517 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 1 0 0 0 0 0999 V2000 0.0930 1.3660 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.0980 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.5600 0.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -1.8670 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -2.6140 0.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -2.3700 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -3.6560 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 -4.1220 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 -3.4350 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3720 -2.1280 0.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 -1.5510 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 -0.3960 1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 -2.4100 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0850 -2.0620 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4350 -0.7420 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7720 -0.2450 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6520 1.1040 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3040 1.4390 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6060 0.3250 1.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7480 2.7900 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5890 3.0460 2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 4.3110 2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6910 5.3470 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8330 5.1130 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3650 3.8430 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7920 3.5450 -0.3010 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 4.5780 2.9450 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2700 3.5970 3.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 5.7960 2.9980 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.1040 -3.9280 0.1140 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -1.5040 0.7300 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9180 -1.1590 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -0.2940 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 0.9340 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 2.0450 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 1.9290 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 0.7040 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -0.4130 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 -1.6210 -2.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -1.6920 -3.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -4.5600 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 1.6920 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.9820 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 1.4680 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -0.1860 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -0.7010 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8500 -2.8220 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6730 -0.8310 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4470 1.7910 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 2.2440 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2760 6.3430 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3050 5.9260 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 1.0270 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 3.0040 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 2.7980 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 0.6140 -3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -1.4910 -3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 -2.6880 -3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 -0.9510 -3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -4.9980 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -5.3530 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -3.9810 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 53 1 0 0 0 0 35 36 1 0 0 0 0 35 54 1 0 0 0 0 36 37 2 0 0 0 0 36 55 1 0 0 0 0 37 38 1 0 0 0 0 37 56 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 57 1 0 0 0 0 40 58 1 0 0 0 0 40 59 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0 41 62 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END