IBS-ZINC05051572 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 2.0930 1.6580 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 0.2860 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 0.2700 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 0.2390 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -1.8080 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -2.3020 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -3.8280 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -4.3050 2.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -4.8310 3.4990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7140 -5.6490 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -5.3750 4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -4.8990 3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -4.2800 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -3.8690 1.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 -4.9610 4.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -6.1650 5.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -6.5960 6.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -6.6360 5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -7.6910 5.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -8.1280 5.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -7.5220 7.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -6.4740 7.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -6.0360 7.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -5.8010 8.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -6.2240 9.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -3.7630 4.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -3.9620 4.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -2.9810 5.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -1.8330 5.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -1.7100 5.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -2.6390 4.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 1.6080 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 2.0470 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 2.3800 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 0.3130 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -0.3910 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -0.3200 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 1.3050 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 0.6720 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -0.7790 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 0.8230 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -2.1410 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -2.1620 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -1.8760 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -1.9480 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -4.2820 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -4.1760 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -7.1530 6.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -8.1820 4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -8.9510 5.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -7.8950 7.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -5.2120 7.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -5.5980 10.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -6.0820 8.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -7.2640 9.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -4.8690 4.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -3.1190 5.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -1.0580 6.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -0.8340 5.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -0.2840 -0.1960 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4170 0.0200 0.7810 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 35 1 0 0 0 0 2 36 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 60 1 0 0 0 0 4 39 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 42 1 0 0 0 0 5 43 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 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 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END