PUBCHEM-ZINC04558646 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -1.9080 0.7150 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -0.3800 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -1.0800 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.0850 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -2.3940 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -1.6990 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.6920 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0110 -2.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.6540 -3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -2.3660 -3.5930 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 0.0290 -4.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -0.6930 -6.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0250 -1.7390 -5.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -0.0710 -7.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 1.6600 -7.2860 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -0.9600 -8.5940 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -0.1790 -6.4120 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -0.6050 -6.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -1.6730 -6.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -2.7080 -5.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -1.5920 -6.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 -2.7810 -6.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -2.5040 -7.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8850 -2.0070 -6.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1410 -1.7530 -7.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -1.9960 -8.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 -2.4940 -9.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -2.7520 -8.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -2.8330 2.4630 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6820 -2.5620 3.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -3.7190 2.6280 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4890 1.6640 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 0.7840 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 0.4910 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -0.8410 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -3.1800 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -1.9400 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 0.9760 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 0.9990 -4.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 0.2210 -6.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -3.0520 -5.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -3.6020 -7.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -1.8170 -5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9200 -1.3640 -6.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3790 -1.7970 -8.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 -2.6840 -10.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 -3.1450 -9.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 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 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 18 40 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 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END