IFLAB-ZINC04393918 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -1.2250 -0.0670 1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -0.9400 3.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -1.2630 3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -2.1140 4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -2.5230 4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -2.0860 3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -1.2370 2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -0.8280 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 -2.5340 3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 -1.9000 3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 -2.7430 3.5270 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -3.8690 4.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 -3.6550 4.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8440 -5.2170 5.2600 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -6.0230 5.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 -7.2810 6.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7770 -8.3800 6.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 -7.0730 7.9490 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -8.1590 8.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 -7.6440 10.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 -7.5050 11.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 -6.9390 12.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 -6.4960 12.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 -6.6490 11.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -7.2120 10.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 -5.8540 14.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 -5.7120 14.8530 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0550 -0.5170 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 0.0950 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 0.9080 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.4630 4.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -3.1870 5.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -0.8880 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -0.1720 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 -1.0090 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -5.3500 6.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 -6.3040 5.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -6.1380 8.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 -8.9190 8.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -8.6290 8.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -7.8190 10.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 -6.8290 13.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0740 -6.3100 12.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 -7.2950 9.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 -5.4980 14.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 2 0 0 0 0 M CHG 1 27 -1 M END