IBS-ZINC03985231 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -0.0730 -1.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2490 1.0060 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -0.4510 -2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 -1.2080 -2.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -0.7500 -0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -0.2020 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 0.8510 0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -0.8980 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -0.1070 2.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 0.8330 3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 1.0300 3.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 1.6150 3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7260 2.6020 4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 3.3050 4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0720 3.0350 4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1680 2.0590 3.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0400 1.3410 2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0930 0.3530 1.8280 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 0.1530 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 -0.3350 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 -1.1970 0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.5840 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -1.5920 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -1.0030 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 -1.8850 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 2.8150 4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7990 4.0710 5.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9520 3.5930 4.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1180 1.8560 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.0530 -3.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -0.2180 -4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 42 43 1 0 0 0 0 M END