IBS-ZINC05354242 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 66 0 0 1 0 0 0 0 0999 V2000 0.7420 2.1550 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 0.7160 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.1320 -1.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.4900 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -2.1070 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -3.5040 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -4.3060 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -3.6870 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -2.2900 -2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -1.6130 -4.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -2.3730 -5.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -1.4000 -6.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -5.7230 -1.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -6.5360 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -6.1910 0.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -8.0290 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -8.7740 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -9.3900 2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -10.8150 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -11.7340 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -13.0720 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -13.5000 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -12.5770 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -11.2230 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -10.2450 0.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7990 -10.6070 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -10.1430 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -14.8310 2.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -15.2990 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -14.0330 4.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -13.6300 4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 2.3460 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 2.3600 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 2.8500 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 0.5340 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.5480 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -1.5290 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -3.9270 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -4.3110 -3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -2.9930 -5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -3.0020 -5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -1.9350 -7.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -0.7550 -6.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.7440 -6.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -6.1650 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -8.2440 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -8.3580 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -9.3120 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -7.7240 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -8.8190 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -9.3460 2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -11.3820 3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -12.8990 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -11.1090 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -9.4400 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -9.8090 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -14.7900 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -16.3650 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -15.1970 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -12.8820 5.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -13.2650 4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -14.5100 5.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -8.8250 0.6300 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8050 -8.2930 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 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 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 63 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 63 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 63 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 63 1 M END