IBS-ZINC05207781 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 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 1.1940 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0110 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4220 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1010 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 2.1400 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 3.3560 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 1.3940 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.0010 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -0.6350 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 2.0500 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5710 2.2710 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9180 2.9460 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 3.2230 0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5320 3.2420 2.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 3.8630 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4600 4.2190 1.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1760 4.0840 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6420 4.8080 1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7280 5.3590 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7820 5.8810 1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7640 5.8590 3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6950 5.3160 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6190 4.7830 3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4500 4.1990 3.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5500 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.7730 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 3.1800 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 1.4190 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 3.0110 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 2.9020 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 1.3100 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1070 3.0210 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7480 5.3780 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6260 6.3090 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5950 6.2710 3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6870 5.3030 5.0300 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 26 2 0 0 0 0 18 19 1 0 0 0 0 18 20 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 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 M END