PUBCHEM-ZINC03719733 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.2220 1.2230 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.1910 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -0.7110 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 0.0520 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -0.5590 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -1.9570 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 -2.7200 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -2.1110 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -2.7910 0.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -4.2140 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -4.7580 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -5.9800 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -6.5140 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.8390 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -4.6310 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.0960 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -2.6410 0.1350 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2050 -3.0510 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -0.4560 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 0.3130 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 -3.7790 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -5.0950 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 -6.1830 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -5.9800 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -4.6870 3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 -3.5850 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -1.9770 3.1910 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4900 -4.5170 5.1220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 1.4550 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 1.6430 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 1.6810 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 1.1340 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -3.8000 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -4.6230 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -4.5270 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -6.5270 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -7.4580 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -6.2560 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -4.1060 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -3.1550 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 0.1390 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9670 -0.7880 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 0.7450 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 1.1430 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 -5.2950 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 -7.1920 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -6.8370 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2410 -1.6720 0.2490 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.1170 -2.1530 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 -1.3880 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 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 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 48 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 48 1 0 0 0 0 20 43 1 0 0 0 0 20 44 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 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 48 1 M END