SIAL-ZINC00642979 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 1 0 0 0 0 0999 V2000 0.0120 1.4630 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 0.0640 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.5670 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 0.1430 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.5370 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 2.2060 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 3.9190 -0.3390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 2.4300 -0.3150 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 3.3550 0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 1.3730 -0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 3.1020 -1.7570 N 0 5 0 0 0 0 0 0 0 0 0 0 3.2930 3.7950 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -2.3180 0.1080 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -2.7880 -1.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -2.6750 1.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -2.7750 -0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -2.0080 0.4790 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2450 -2.3590 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -0.6060 0.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -2.2170 1.9970 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4180 -1.8370 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -3.7100 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -3.6420 3.4010 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8310 -4.4830 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -2.2770 4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -1.5210 2.7250 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4620 -0.4360 2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -2.0420 2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -3.3180 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 1.9910 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -0.3890 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -2.9520 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -0.0860 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -4.3840 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -4.0550 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -1.9870 4.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -2.1970 4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -1.4990 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -4.0040 2.3460 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 38 1 0 0 0 0 29 39 1 0 0 0 0 M CHG 1 11 -1 M END