CHEMSTAR-ZINC01004493 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3960 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -0.6620 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.0230 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.3420 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 2.0690 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 3.9590 0.0110 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -0.7730 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -0.1900 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.1200 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -2.8210 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -2.0000 0.0300 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -4.1680 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -4.9300 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -6.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -7.2110 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -7.6060 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 -8.3850 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7310 -8.9960 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 -7.8980 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 -7.4910 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.9380 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -1.7410 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 1.8640 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -2.5850 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -4.6340 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -4.6850 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 -4.6760 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -6.6730 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -6.6820 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -7.3590 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1140 -7.7200 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 -9.1810 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 -9.3930 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0380 -9.7960 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2610 -7.0370 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0860 -8.2790 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 -8.2970 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1760 -6.5940 1.9530 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END