IBS-ZINC04794697 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 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 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -0.7580 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -2.1970 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -0.7590 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -0.5260 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.7720 3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -1.2510 3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -1.4860 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -1.2340 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -1.9530 2.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7310 -2.5820 3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8370 -3.4130 3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3670 -4.0640 4.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7960 -3.8890 5.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -3.0610 5.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 -2.4080 4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -1.5120 4.9600 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3730 -0.2240 5.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 0.7720 5.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 1.8590 6.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 1.9400 7.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 0.9460 7.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -0.1500 6.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -1.3530 6.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -1.6030 7.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -2.1440 5.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 -4.5480 6.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4960 -5.4220 6.6840 C 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 -3.1420 -0.6060 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.0680 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -2.8870 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -2.3810 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -2.3490 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -0.1530 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -0.5900 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -1.4120 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2820 -3.5490 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2260 -4.7080 4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 -2.9250 6.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7660 0.7130 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0540 2.6600 5.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 2.8040 7.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 1.0150 8.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 -4.4250 7.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3330 -4.8450 6.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2550 -6.2280 5.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7680 -5.8430 7.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END