IBS-ZINC02365844 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0310 1.6000 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.0840 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.4830 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -2.0110 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -2.6140 0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4290 -2.2680 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -4.1470 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 -4.8850 -0.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -4.6040 1.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -3.9860 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -6.0130 1.8450 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9210 -6.6480 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -6.3720 2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -6.2490 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -5.2150 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 -5.0900 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -5.9980 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -7.0340 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -7.1610 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -6.2960 3.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -5.2650 3.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 -2.2660 -1.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -2.1760 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -2.3160 -0.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 -1.9020 -2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 -1.8220 -3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8070 -1.5660 -4.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8270 -1.3910 -5.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 -1.4740 -5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -1.7330 -3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -1.8090 -3.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -2.0850 -2.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 1.9840 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 2.0550 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 1.9230 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.2060 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -0.3370 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -0.1890 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -0.0460 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -2.3150 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -2.4160 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -5.7420 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -7.4040 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -4.4930 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -4.2790 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -5.8950 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -7.7370 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -7.9640 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1910 -1.9660 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8590 -1.5050 -4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 -1.1920 -6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -1.3380 -5.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -7.4990 3.4010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 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 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 53 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 M CHG 1 53 -1 M END