IBS-ZINC05111720 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.2710 1.6330 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 0.1410 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -0.4330 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -1.8180 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -2.6780 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -2.0920 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -0.7000 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -0.1460 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -4.1160 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -4.8350 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -4.3400 2.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -6.3050 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -7.0550 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -8.4240 2.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -9.1900 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -10.6940 3.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -13.0010 4.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -13.8130 5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -13.6760 6.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -12.3160 6.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -11.4190 5.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -6.9510 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -8.1590 -0.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -6.0830 -1.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -4.7250 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -4.1700 -2.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 1.8870 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 2.0480 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 2.1190 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 0.1940 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -2.1930 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -2.7180 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 0.3140 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -0.9300 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 0.5970 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -6.5860 3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -8.8980 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -8.9620 4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -8.8850 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -10.9710 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -10.9820 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -13.0550 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -13.3310 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -14.8740 5.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -13.5080 6.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -12.2850 7.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -11.9760 7.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 -11.7310 4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -10.3740 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -6.4860 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -11.5300 4.3920 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3120 -11.2100 4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END