IBS-ZINC04313021 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3900 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 1.1780 -0.6890 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0140 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4330 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.1050 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 2.1140 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 1.4570 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 1.8850 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 0.7190 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 -0.3620 -0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 0.0370 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -0.6390 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4670 -1.7560 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6370 -2.2490 1.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7140 -2.0880 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9960 -3.7470 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 -3.8110 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 -2.4800 2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7190 -1.5460 2.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2120 0.6680 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5670 3.2160 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7850 3.7820 1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 3.8550 -1.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2740 5.1960 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 5.4950 -2.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 6.9310 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4790 7.9020 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6170 7.6030 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 6.1680 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9090 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.7690 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 3.1840 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7270 -2.3730 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -1.8260 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 -4.3200 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 -4.1160 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 -4.6660 2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1820 -3.8400 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -2.5800 3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3750 -2.1650 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7280 1.4900 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6660 -0.1890 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 5.3130 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9780 4.8030 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5370 5.3780 -3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2600 7.0480 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2740 7.1440 -3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 8.9250 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 7.7850 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 7.7200 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 8.2950 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 6.0510 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 5.9540 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 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 22 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 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 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 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 25 26 1 0 0 0 0 25 30 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END