PUBCHEM-ZINC01113977 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 5.1850 -5.4580 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -5.0160 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 -3.6680 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -3.2600 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -4.2050 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -5.5580 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -5.9590 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -3.7950 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -4.5230 -1.0950 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -5.9230 -0.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -3.8280 -1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -4.2090 -2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -5.1430 -3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -4.9000 -4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -3.7160 -5.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -2.7800 -4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -3.0320 -3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -3.4660 -6.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.8030 -7.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -2.3410 -7.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -2.6380 -8.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -1.9910 -9.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -1.8390 -10.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -2.3280 -11.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -2.9700 -11.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -3.1330 -9.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -3.8270 -9.6280 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8930 -4.2820 -10.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -3.9410 -8.4960 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2930 -2.1330 -12.9870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 -5.5400 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -6.4270 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 -4.7260 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 -2.9340 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -2.2070 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -6.2950 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -7.0110 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -3.0840 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -6.0630 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -5.6290 -5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -1.8580 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -2.3070 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -3.7690 -6.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -1.6090 -8.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -1.3390 -10.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -3.3480 -11.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END