IBS-ZINC04646439 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 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 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.1040 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -0.5310 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -1.9140 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -2.6700 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.0200 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -4.1420 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -4.7420 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -6.1420 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -6.7820 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -8.1080 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -8.7210 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3790 -7.9280 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5160 -8.8650 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8990 -8.6960 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7230 -9.8000 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1810 -11.0760 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8150 -11.2580 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9660 -10.1560 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 -10.0430 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 -10.7920 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2690 -6.6080 0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -6.0570 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -2.5380 0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 -1.7040 0.0520 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 -2.3280 1.1830 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 0.0520 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -2.5960 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -4.7220 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -6.6630 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3230 -7.7030 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7960 -9.6710 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8350 -11.9360 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4030 -12.2560 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 -2.3260 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -1.0790 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 -1.0700 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 25 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END