IBS-ZINC02113303 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 0 0 0 0 0 0999 V2000 0.5500 0.3750 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -1.0400 1.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.4990 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -0.6040 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -1.0650 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -2.4330 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -3.3340 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.8670 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -3.7420 1.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -5.1300 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -2.9300 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 -2.2670 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2110 -2.7600 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3660 -3.8830 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -4.4790 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -3.9880 -0.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 -5.6720 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4370 -6.2680 -1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -6.0980 -2.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4530 -7.2930 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -6.9340 -4.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -6.3420 -4.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -5.1150 -3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -5.3780 -2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 -1.8810 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5220 -1.8540 1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1080 -0.8760 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3240 0.0800 3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9540 0.0660 2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3430 -0.9140 2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 -1.1660 1.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 -0.6410 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 0.6050 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 0.8550 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.7430 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 0.4570 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 -0.3660 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -4.3950 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -5.4260 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -5.3070 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -5.7170 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3480 -4.2830 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -8.0950 -2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 -7.6120 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -7.8360 -5.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 -6.2260 -4.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -4.7090 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -4.4000 -4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -4.4300 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -5.9840 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1340 -2.5960 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1810 -0.8530 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7930 0.8430 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 0.8150 3.4440 H 0 0 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 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 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 M END