IBS-ZINC03895810 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 0 0 0 0 0 0999 V2000 -0.4310 2.8230 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.9720 2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 1.7910 3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 2.5490 4.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 3.3020 5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 3.9750 6.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 4.9840 5.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 5.6070 6.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 6.3860 5.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 6.3370 4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 5.5080 3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 4.8800 2.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7890 3.8340 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 3.1610 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 2.4550 1.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 1.6960 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 0.9250 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 4.2610 4.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 2.2780 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 3.4760 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 3.4410 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 0.4010 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 0.2870 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 1.0980 3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 2.4580 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 2.6250 5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 4.0550 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 3.2340 6.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 4.4410 6.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 4.8680 7.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 6.2990 7.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 7.0910 6.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 6.9190 5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 6.8760 3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 7.0430 5.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 4.7690 4.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3490 6.1670 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 3.1010 3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7310 4.2630 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 2.4530 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 3.9130 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 0.9710 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 2.3560 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 0.2430 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 0.3550 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 3.6630 5.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 4.5770 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 3.6290 4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 1.8280 1.7000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5110 2.3630 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 5.4830 5.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9870 5.1330 6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 51 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 10 51 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 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 49 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 51 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 49 1 M CHG 1 51 1 M END