IBS-ZINC01738088 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5650 -1.7240 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -0.7380 1.3770 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5320 -2.1600 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -2.5000 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -3.8190 3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -4.1300 5.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -3.1410 5.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -1.8340 5.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 -1.5060 4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -3.4830 7.3840 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4060 -4.6330 7.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -2.6160 8.2050 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7720 -3.0230 1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 -0.0150 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 0.1920 2.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 0.3900 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 0.9940 -0.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 -0.0020 -0.8890 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 0.2440 -2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 1.5810 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 1.8380 -4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 3.1540 -4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 3.8190 -3.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 -4.5910 2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -5.1470 5.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -1.0680 6.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -0.4850 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -0.2130 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 0.2770 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -0.5580 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 1.5480 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 2.3830 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 1.8710 -4.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 1.0360 -4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 3.5890 -5.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 4.4390 -5.5120 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 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 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END