IBS-ZINC06662012 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 -5.4060 -5.5000 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -4.5040 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -4.4540 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 -3.1190 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 -2.5620 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -1.2290 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -0.6600 -2.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -0.6760 -0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 0.2540 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -1.3190 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 -2.5060 0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 -0.6820 1.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1300 -1.1410 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9270 -1.6200 3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0310 0.0140 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 0.4280 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -0.9060 5.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3850 -1.5120 6.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3260 -2.8060 7.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 -3.3920 7.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6630 -2.6950 7.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7370 -1.4090 7.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6070 -0.8180 6.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5390 0.1860 6.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -0.1330 7.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 0.8360 8.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 2.1360 8.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 2.4680 7.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 1.5010 6.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -6.5060 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -5.5470 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9690 -5.2300 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -4.8790 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7480 -4.1450 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2950 -3.7500 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4700 -5.4400 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -3.0330 -2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8460 -0.3090 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5810 -1.9460 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8930 -1.8990 3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 -2.4650 3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -0.8030 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 0.8750 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 0.7420 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 1.2970 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -1.7040 5.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 -3.3760 6.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 -4.3940 7.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5430 -3.1530 8.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6770 -0.8640 7.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7060 0.1890 6.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -1.1430 7.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 0.5750 9.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 2.8890 9.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 3.4810 7.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8720 1.8000 6.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 -0.4880 4.3430 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.0070 0.2840 4.3400 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 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 11 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 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 57 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 17 46 1 0 0 0 0 17 57 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 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END