IBS-ZINC05025830 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -0.7580 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 -1.2360 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 -1.4840 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -1.2500 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -0.7760 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -1.9680 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7020 -3.1870 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0730 -3.3640 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5830 -2.1370 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 -1.2790 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5550 -0.0960 1.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7680 0.3110 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9320 1.5740 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1680 1.9790 2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2820 1.1590 2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1640 -0.0680 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9010 -0.5220 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7730 -1.7250 0.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8530 -4.5370 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0150 -5.4490 0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3940 -4.6090 -1.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1760 -5.7850 -2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6720 -5.6140 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4880 -6.8420 -4.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9520 -6.6840 -5.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7300 -7.7820 -5.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1690 -7.5040 -7.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -4.1090 -0.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -0.5650 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -1.4170 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -1.4420 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -0.5980 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 2.2200 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2880 2.9490 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2530 1.5040 2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0350 -0.6930 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2650 -3.8820 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5500 -6.6750 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0300 -5.8900 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2970 -4.7240 -3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8170 -5.5090 -4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8630 -7.7330 -4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3430 -6.9480 -3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1300 -8.6920 -5.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6100 -7.9070 -5.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7690 -6.5950 -7.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2890 -7.3790 -8.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7630 -8.3420 -7.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -3.9120 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 -4.9570 -1.3090 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 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 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 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 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 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END