IBS-ZINC02292414 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 2.4630 0.1640 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -0.2560 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.4690 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -0.9810 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -1.4020 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -1.8460 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -1.8760 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -1.4650 -2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -1.0150 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -0.5450 -1.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.3860 -2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 -2.2160 -0.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 -2.6730 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.2420 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -1.0650 2.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.0910 2.6770 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4490 1.3900 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 2.1510 2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 2.1830 5.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 1.8490 6.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 1.0360 6.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -0.2180 5.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 0.1270 4.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.6540 8.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 0.7230 9.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 0.2100 8.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -0.0620 9.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 0.1390 8.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -0.3350 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 1.2460 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.1010 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -1.3860 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -2.2180 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -1.5000 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 -1.2920 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.2290 -3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 0.4900 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -3.5810 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3820 -2.9240 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -1.8890 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 3.1510 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 2.1920 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 1.9360 2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 2.6710 4.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 2.8290 4.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 2.7790 7.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 1.2950 6.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 1.6570 6.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -0.7670 6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -0.9020 6.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 0.7430 4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -0.7880 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 0.9170 4.1990 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0020 0.3090 4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 35 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 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END