IFLAB-ZINC04519009 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -4.8650 -1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -4.8790 1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -5.0080 -0.0070 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1600 -4.6800 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -6.5290 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -7.1590 -1.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -8.5020 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -9.1900 -0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -9.1440 -2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -8.4560 -3.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -10.4870 -2.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -11.1170 -3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -12.5020 -3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -13.1600 -4.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -13.2990 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -11.9140 -4.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -11.2560 -3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -4.3600 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -3.5080 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 -3.1500 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -3.8050 3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -4.5410 2.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -6.8580 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -6.8160 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -6.6090 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -11.0370 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -10.5000 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -13.1200 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -12.4030 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -14.1460 -5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -12.5420 -5.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -13.9160 -3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -13.7670 -5.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -12.0120 -4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -11.2960 -5.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -10.2690 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -11.8730 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -3.1630 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -2.4790 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -3.7510 4.3070 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 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 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 M END