PUBCHEM-ZINC03675970 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.8520 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -2.1330 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.0140 0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -1.1090 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -2.2440 -2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -2.4610 -3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -1.5380 -4.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -0.3910 -3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -0.1860 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 0.3740 -4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -0.3620 -5.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -1.4900 -5.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -2.1640 -6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 0.0180 -7.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -0.0930 -8.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 0.2640 -9.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 0.7320 -9.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4860 0.8460 -8.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 0.4850 -6.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1180 1.4350 -8.1250 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.6310 1.1810 -10.8520 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 1.6050 -4.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 2.1270 -5.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -2.9640 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -3.3480 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 0.6940 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -0.4580 -8.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 0.1780 -10.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 0.5690 -6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 2.0810 -3.4080 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 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 M END