IBS-ZINC00702905 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.1210 1.2190 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 0.7190 2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 3.0800 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 3.5740 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 5.0080 2.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 5.9740 1.7820 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5350 5.7740 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 7.2400 2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 7.0530 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 5.6010 3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 5.0800 3.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 7.9700 4.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 8.5550 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 9.3750 1.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 8.8330 2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 8.2600 3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9750 8.5510 3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6570 9.4150 2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 9.9750 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 9.7030 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 10.8060 0.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 10.7430 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 10.8090 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 9.6690 3.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 5.9250 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 6.3940 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 6.3310 -1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 5.7920 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 5.3170 -1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 5.3810 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 4.9120 0.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 4.6270 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.1610 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 1.4030 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 1.8250 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 0.9340 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -0.3230 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 0.9180 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 3.6040 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 3.2440 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 3.3230 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 3.0950 3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 7.4750 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 7.6080 4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4880 8.1170 4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 10.1540 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4650 11.5910 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3980 9.8190 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0750 11.7160 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5490 10.8120 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 6.8220 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 6.7060 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 5.7430 -3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 4.8950 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 5.4900 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 3.7400 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5470 4.4070 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 1.6000 0.9540 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7130 1.4230 0.6650 H 0 0 0 0 0 0 0 0 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 1 58 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 2 58 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 58 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 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 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 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 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END