CHEMSTAR-ZINC04113363 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0260 1.3300 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.0470 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -0.6880 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 0.0730 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 1.4540 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 2.0800 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 2.1980 -0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 3.6180 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 4.2700 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 4.6130 -2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 5.2120 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 5.4680 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 5.1270 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 4.5320 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 6.1090 -1.9350 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3880 6.4090 -3.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0310 6.3350 -1.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1560 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -2.8500 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -2.3200 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -1.1290 -1.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -3.2360 -1.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -4.5290 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 -5.8550 -1.7350 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -4.6080 -0.5190 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -2.8360 -2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -2.7890 -3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -3.0600 -4.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.8240 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -0.6300 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -0.4140 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 3.1580 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 3.9550 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 3.8910 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 4.4120 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 5.4780 -3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 5.3270 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 4.2680 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 -2.6810 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -3.5600 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -1.8510 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 -2.4440 -4.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -2.4280 -5.4590 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 18 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 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END