IBS-ZINC01825234 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 1.1280 0.4700 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.2710 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.2880 -0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 0.4390 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 1.1770 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 1.1850 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 1.9090 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 1.3000 -0.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 3.2460 -0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 4.0850 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 5.5760 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 6.4610 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 7.1350 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 7.1890 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5130 7.9870 -2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4910 8.7110 -2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5530 8.6620 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6090 7.8750 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4380 7.6650 1.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 8.0560 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3790 6.8310 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 6.4860 2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 5.6930 2.8910 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4630 8.0660 -4.4390 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6760 7.3150 -5.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2090 8.8830 -5.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0930 0.4260 -2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 1.5170 -3.0620 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8690 0.4840 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -0.8370 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.8690 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 1.7360 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 3.6530 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5930 3.7990 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 3.8450 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 5.8520 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 5.7690 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 6.6210 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2180 9.3240 -2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3080 9.2230 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 7.0280 3.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -0.6610 -3.1560 O 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 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 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 41 2 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 27 42 2 0 0 0 0 M CHG 1 23 -1 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 28 -1 M END