PUBCHEM-ZINC00717544 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.3130 2.5070 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 1.0630 -0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7060 0.6990 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 1.0350 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.2690 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 1.2640 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 1.0570 3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 0.8530 3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 0.8240 2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 0.5990 2.5600 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -0.6100 3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -0.1700 4.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -1.0470 6.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -2.3750 5.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -2.8320 4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -1.9570 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -2.6140 2.3950 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 1.5260 2.7510 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 0.1990 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -0.7250 -3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -2.2430 -1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -1.3280 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -3.1130 -3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -4.4350 -3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -4.0940 -3.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -4.9260 -3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 2.8390 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 2.6240 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 3.1980 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 1.4770 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 1.0670 4.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 0.7300 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 0.8630 5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -0.6910 6.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -3.0560 6.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -3.8750 4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 1.2290 -2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -0.0740 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -0.7390 -4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -0.3980 -3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -1.9580 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2870 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -1.6340 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -1.3550 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -3.1870 -3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -2.7010 -4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -5.0130 -4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -5.0370 -2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 0.1250 -1.0380 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9810 0.4460 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -2.1420 -2.9140 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1890 -2.5380 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 49 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 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 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 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 19 49 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 51 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 21 51 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 49 1 M CHG 1 51 1 M END