IBS-ZINC04073955 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 -0.2210 1.3230 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.1610 0.1760 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0810 -0.6200 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -0.8630 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -0.7800 2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -1.6460 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -2.0990 3.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -0.3980 -1.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3680 -0.0240 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -1.9190 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0760 -3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.6500 -3.6510 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0270 -0.3580 -3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 0.1980 -2.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2900 1.6870 -2.8660 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0020 2.3380 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 1.9800 -4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 1.0100 -5.1530 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2670 1.0740 -4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -0.4510 -4.9970 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6320 -1.1270 -5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.8800 -6.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -0.5170 -7.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 0.9780 -7.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3540 1.5130 -7.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 1.3890 -6.6390 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9440 2.9130 -6.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 3.3310 -8.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 2.8560 -9.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5610 3.0300 -10.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 1.3750 -9.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 3.6480 -9.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 3.5210 -8.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 0.6470 -6.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 2.1340 -2.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 2.2000 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -0.0550 -2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 1.8150 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 1.8590 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 1.4500 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -1.9230 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -0.4320 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 0.2510 2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -1.0820 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -2.3100 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -2.5040 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -2.6930 -3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -2.5670 -3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 3.0110 -4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 1.9800 -4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.4160 -5.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -1.9640 -6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.7760 -8.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -1.1250 -7.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 3.2350 -6.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 3.4790 -6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 2.9400 -8.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 4.4250 -8.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 1.1480 -9.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 0.7660 -9.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 1.0340 -6.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 0.7640 -8.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -0.4280 -6.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 0.6500 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 0.0360 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -1.0610 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -1.7910 4.7210 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 67 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 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 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 M CHG 1 67 -1 M END