IBS-ZINC01411168 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -0.6980 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -1.1410 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -1.3750 -3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -1.1700 -3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.7250 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -1.5220 -4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -1.4830 -5.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -1.8420 -6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -2.6790 -7.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -3.0380 -8.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -2.5740 -9.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -1.7430 -9.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -1.3730 -7.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -2.9330 -10.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -2.4210 -11.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -2.9300 -13.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -1.9320 -5.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -2.2960 -6.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -1.8310 -4.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 -2.1160 -4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -2.4900 -3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 -1.4000 -2.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7210 -0.4840 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -1.8590 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -3.2820 -5.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -0.8750 -5.3730 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -0.5120 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -0.5600 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -3.0400 -6.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -3.6820 -8.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -1.3870 -9.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.7250 -7.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -1.3320 -11.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.7580 -11.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -2.5930 -13.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -2.5400 -13.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -4.0200 -13.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -3.4160 -3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -2.6510 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.7740 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -2.0460 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5550 -1.0820 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -3.0200 -6.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -3.4900 -5.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -4.1660 -5.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.0500 -4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 -1.0900 -5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -0.6010 -6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 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 35 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 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 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M END