IBS-ZINC05244664 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.1070 1.6640 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 0.1670 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -0.4960 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -1.8930 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -2.6490 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -1.9860 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -0.5890 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -4.0980 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -4.9750 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -6.2550 0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -6.2330 -0.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -4.9170 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -4.6340 -0.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -5.6470 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -7.0720 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -7.3450 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -8.6670 -0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -9.7950 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -10.9570 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -10.2030 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -9.0320 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -12.6000 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -13.3630 1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -13.2590 0.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -13.8630 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -5.3540 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -4.6370 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 1.9980 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 2.0410 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 2.1090 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 0.0700 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -2.3800 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -2.5480 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -0.0980 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -7.8300 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -10.1330 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -9.4980 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -11.8260 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -10.6740 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -9.9120 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -10.5500 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -8.2030 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -9.2980 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -12.2980 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -13.2150 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -14.4160 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -12.9210 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -4.7850 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 -6.2710 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 -4.7560 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -3.8030 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -5.4870 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -4.3550 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -11.3740 0.7240 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0520 -11.7210 0.2610 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 54 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END