IBS-ZINC04279456 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1960 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0180 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4310 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 2.1040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 2.1520 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 1.4940 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 0.1000 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6570 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 -1.9210 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -1.9870 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8670 -0.7820 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 3.5390 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 4.2310 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 5.5290 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 6.2570 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 5.5520 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 6.2370 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5930 7.6200 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 8.3290 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1910 7.6530 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 9.6880 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 3.1840 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 -0.5370 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 4.0300 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 6.0760 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 4.4720 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 5.6920 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5330 8.1510 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 8.2040 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4140 10.0860 -0.8980 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 30 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 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END