IBS-ZINC05187080 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 0.0190 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 1.5480 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 2.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -0.4670 2.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -0.5800 2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -1.0400 3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3370 -1.1380 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 -0.7900 2.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 -0.3560 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 -0.2560 1.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9630 -0.0040 0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4240 -0.1140 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 0.3340 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4500 0.2200 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0580 -1.5900 4.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -1.4160 4.7550 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8310 -2.5610 4.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -0.5810 5.6150 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -0.3330 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 1.9000 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 1.9260 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 1.7040 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 3.1450 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -0.7080 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 0.3150 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 0.5210 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 -1.1490 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4890 -0.3010 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6330 1.3700 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8870 0.8550 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7430 -0.8160 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9380 0.5840 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 -1.8420 5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -1.6560 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9320 0.6500 -2.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4920 0.1180 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 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 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 44 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 41 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END