IFLAB-ZINC04139404 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 0.0830 2.0400 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.5840 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -1.2700 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -1.8050 -3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -0.7090 -1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -0.1480 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.6180 -3.5410 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5590 -1.9410 -4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -4.0020 -4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -4.4780 -5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -5.8260 -5.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -6.3400 -4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -5.1980 -2.8890 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 -2.6020 -3.1060 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4580 -1.5640 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 -3.4350 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -2.9710 -4.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 -2.1580 -5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -1.0860 -5.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0860 -2.6330 -6.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 -3.9900 -6.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -4.3840 -7.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 -3.4340 -8.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5430 -2.0620 -8.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 -1.6750 -7.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 -1.0030 -9.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6300 -3.9010 -9.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 2.1600 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 2.6410 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 2.4520 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.0470 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 0.5010 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -1.0580 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -1.9820 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -2.7650 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -1.1010 -3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -0.0030 -2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -0.9160 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -0.8260 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 0.8300 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.8910 -6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -6.3940 -6.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -7.3350 -3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4880 -4.5090 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -3.2160 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -3.2180 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6270 -3.8260 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 -4.7600 -6.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2360 -5.4470 -7.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 -0.6170 -7.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 -1.1140 -10.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9090 0.0040 -8.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2910 -1.0720 -9.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2200 -3.5790 -10.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6420 -3.5020 -9.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 -4.9930 -9.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 0.0330 -1.4350 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8780 0.7340 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -2.0130 -2.4760 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6360 -2.7350 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 57 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 57 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 59 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 59 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 57 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 59 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 57 58 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 57 1 M CHG 1 59 1 M END