CHEMSTAR-ZINC04553712 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.4500 1.3420 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -0.0660 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -0.6320 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 0.0520 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -0.6320 3.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -2.0230 3.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -2.7180 2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -2.0140 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -2.7350 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -2.7970 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -2.3800 -1.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -3.4960 -2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -3.8430 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -4.5070 -4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -4.8240 -4.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -4.4760 -3.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -3.8120 -2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 0.1490 4.3200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8990 1.0790 4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 0.0650 6.4090 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2470 1.0860 6.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 0.1050 5.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 0.6110 3.9160 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -0.7060 7.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.8250 8.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 1.8740 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 1.6280 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.6310 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 1.1270 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -2.5670 3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -3.7920 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -3.6010 -3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.7760 -5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -5.3410 -5.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -4.7210 -3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -3.5470 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 0.8290 5.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 -0.8730 5.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.5820 5.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -0.5350 6.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -1.0780 8.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 41 -1 M END