IBS-ZINC02130980 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.3920 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -1.9100 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -2.2370 -2.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6850 -1.7310 -3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -3.7260 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -4.3440 -4.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -1.7830 -4.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.4910 -5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -1.6040 -5.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -1.0230 -6.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -0.7630 -7.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -0.3080 -8.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 1.0190 -8.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 1.5000 -9.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 0.6930 -10.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 1.2090 -11.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 0.3540 -12.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -1.0190 -12.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -1.5520 -11.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -0.7040 -10.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -1.2150 -9.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -2.4070 -9.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 0.0240 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 0.0400 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -2.3260 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.3420 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -1.6920 -4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -1.7910 -6.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -0.1030 -6.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 0.0050 -7.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -1.6830 -7.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.7100 -8.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 2.2750 -12.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 0.7540 -13.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -1.6740 -13.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -2.6210 -11.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -4.3650 -2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -5.3200 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 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 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 9 10 1 0 0 0 0 9 32 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 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 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 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 42 43 1 0 0 0 0 M END