IFLAB-ZINC04496987 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.6870 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.0680 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.0820 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1700 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -4.9930 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -6.4090 -0.7360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0700 -7.1730 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -6.3980 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -4.9330 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -4.5080 2.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -6.5980 -0.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -7.8390 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -8.7980 -0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -8.0340 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 -9.5020 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 -10.2800 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -11.6270 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 -12.1960 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 -11.4180 -2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 -10.0700 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -13.6390 -1.2800 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1930 -14.3240 -0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -14.1400 -2.3800 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0550 1.8510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 1.8680 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 1.8780 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.1400 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.6010 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.6250 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -4.6050 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -5.0140 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -6.9530 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -6.8130 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -5.8310 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -7.6510 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -7.4960 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -9.8350 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 -12.2340 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -11.8630 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2790 -9.4620 -3.0710 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 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 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 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END