PUBCHEM-ZINC03028599 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.3750 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 1.0380 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 0.3660 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0300 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 0.3720 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 1.0430 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -0.8270 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 0.4750 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 1.8010 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 2.8200 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9690 2.5220 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 1.1900 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4670 0.1750 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -1.2360 -0.3700 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0950 -1.5000 -0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 -2.1340 -0.2640 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9540 3.6120 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5630 4.8450 -0.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 5.8910 -0.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9390 7.2000 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 8.2300 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3450 7.8280 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3460 8.7710 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0340 10.1190 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7190 10.5220 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 9.5770 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0650 10.0810 -0.5590 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.2920 11.3040 -1.1740 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 1.2990 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 0.1020 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 0.1120 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 1.3080 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 2.0310 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 3.8490 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 0.9570 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 3.3800 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 7.3150 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 7.3390 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5890 6.7760 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 8.4560 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4740 11.5740 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 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 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END