IBS-ZINC06760729 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4290 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -0.6850 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 -0.1250 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 -0.9250 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 -2.2340 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -2.4360 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -0.3990 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.5460 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 0.7700 -1.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6910 1.1420 -1.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8610 2.0600 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2740 2.5860 -2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2570 1.9120 -3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5520 2.3940 -3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8640 3.5510 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8810 4.2260 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5850 3.7460 -1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5160 4.1650 -2.6120 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6540 4.9660 -1.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3550 3.0540 -2.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6480 5.1920 -3.9040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9870 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -3.0310 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5230 0.1300 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0220 -1.2310 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4350 0.9620 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 1.5310 -3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1650 2.8920 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0130 1.0080 -3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3200 1.8660 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1250 5.1290 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8160 4.2750 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8830 5.3480 -4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4900 5.6380 -4.0850 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 32 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 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 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 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END