IBS-ZINC04940542 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 5.1280 -0.9430 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -1.7620 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -1.4480 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -2.2290 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -3.3370 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -3.6780 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -2.8890 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -4.1470 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -4.2430 0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -4.7640 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -6.0120 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -6.2540 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -7.3340 -3.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -5.0880 -3.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -4.0440 -2.9690 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3090 -3.8440 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -2.7610 -3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -2.7610 -2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -1.5620 -3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -0.3570 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -0.3270 -3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -1.5260 -3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 0.7950 -3.0780 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -4.9140 -5.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -4.3220 -5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -4.7550 -5.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -6.9650 -0.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -1.3440 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -0.9510 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 0.1020 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -0.5930 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -1.9680 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -4.5620 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -3.1670 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -3.7000 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -1.5680 -2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 0.6250 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -1.4880 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -4.3080 -5.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -5.9020 -5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -7.7320 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -3.4760 -6.8800 O 0 5 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 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 1 42 -1 M END