IBS-ZINC02206694 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 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 1.1940 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0110 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4230 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1010 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 2.1340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 3.3500 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 1.3840 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 0.0270 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -0.6280 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 2.0410 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 2.2620 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 2.9480 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4060 3.1690 2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7740 3.8550 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2360 4.0730 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5400 3.7150 5.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4230 4.6660 4.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8720 4.8780 5.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2190 5.5540 5.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7500 5.8300 4.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5500 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.7730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 3.1810 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 -0.5350 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 1.4110 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 3.0020 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 2.8920 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 1.3010 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6560 2.3180 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 3.9090 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6870 3.7990 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4850 2.2080 3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4930 3.2250 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6950 4.8160 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9790 4.9520 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1540 5.5080 6.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9510 3.9170 6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8300 5.8480 6.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6930 6.2820 6.9420 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 41 42 1 0 0 0 0 M END