PUBCHEM-ZINC03028679 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.3480 1.4570 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 0.0020 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -0.5270 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -0.8450 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -0.0920 -1.6130 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 0.8400 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 1.4940 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 2.2220 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 2.3040 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 1.6460 -2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 0.9150 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 0.2130 -3.5510 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0950 0.2780 -4.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -0.4300 -3.7700 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9060 3.0840 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0510 3.6930 0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 4.4410 0.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 5.0600 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5370 5.8260 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4670 5.8420 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6480 6.5450 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 7.2320 2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9700 7.2150 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7860 6.5160 3.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6150 6.5000 4.7740 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.3830 8.1140 2.8100 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 2.1040 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 1.7400 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 1.5640 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -0.2580 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -1.6110 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -0.0870 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -0.4690 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -1.8820 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -0.7890 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 1.4300 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 2.7300 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 1.7080 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6820 3.1460 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 5.7440 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1820 4.2940 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2710 5.3060 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3740 6.5570 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1670 7.7510 4.5620 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 5 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 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END