IBS-ZINC05025362 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0910 1.3840 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 2.4520 1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 2.3800 3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 2.3570 3.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 1.3480 3.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 1.4320 1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 3.1200 4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 4.4590 5.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 5.0790 6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 4.4060 7.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 3.1170 6.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 2.4740 5.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 2.4330 7.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 3.0420 8.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 1.9890 8.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 0.6780 8.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 1.0290 7.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 6.4010 6.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 5.2580 4.2060 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9800 5.2640 3.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 5.8870 4.6460 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9730 1.2730 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 2.3350 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 0.5430 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 3.4060 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 2.3000 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 1.4550 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 3.1960 3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 0.3530 3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 1.4770 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 0.5960 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 2.3810 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 3.2160 9.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 3.9860 8.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 2.0340 10.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5820 2.1290 8.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 0.3850 9.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7120 -0.1410 8.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 0.8920 6.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 0.4020 7.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 7.0030 6.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 6.7550 7.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 1.3540 1.3180 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1060 0.4480 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 43 1 M END