IBS-ZINC05215891 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.1040 1.1730 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.3700 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -0.6240 -0.3710 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0120 -1.1700 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 0.6600 -0.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 1.6000 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -1.4250 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -1.7640 -2.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -2.4920 -3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -2.8740 -3.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -3.5750 -5.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -3.9060 -5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -3.4870 -4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -2.7840 -3.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3590 -3.7930 -5.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -4.6230 -4.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4580 -4.9870 -4.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1670 -3.7880 -5.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 -2.9560 -6.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 -2.5720 -5.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 -4.6850 -6.8690 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1750 -4.1090 -7.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -5.9010 -6.8270 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5600 -3.9710 -5.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 1.5730 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 1.4820 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -0.8100 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -0.7700 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 2.6190 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 1.5100 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -2.3410 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.8280 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -1.4780 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 -4.0670 -3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -5.5340 -4.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 -5.5540 -4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 -5.5890 -5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0760 -2.0540 -6.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 -3.4990 -7.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -1.9850 -6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 -1.9830 -4.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -3.7370 -5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -4.4820 -6.6100 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 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END