IBS-ZINC06664731 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1390 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -1.8690 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -2.6250 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0030 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.1300 2.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8750 -4.5500 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -4.6180 3.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -4.2960 4.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -3.9960 5.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -4.3370 4.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -4.6590 3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -4.5720 2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -4.9010 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -4.8350 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 -5.2940 1.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 -5.5260 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4020 -5.3630 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 -5.0540 3.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 -5.7950 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4910 -5.8730 3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8100 -6.2780 3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4620 -6.6060 2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7980 -6.5300 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4780 -6.1330 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2170 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1010 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -2.3570 3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.5950 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -4.1230 3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -5.6960 3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -4.1390 5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9830 -5.6170 4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 -6.3380 4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4940 -6.9220 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3140 -6.7870 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 -6.0790 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 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 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END