IFLAB-ZINC00123826 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 30 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3590 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -0.5890 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -0.3980 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 0.7860 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.8200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 0.6750 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -0.5390 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -1.6230 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -1.5680 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 1.8050 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 2.6480 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 3.5180 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 2.5380 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 1.4420 -0.1100 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8170 0.4770 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 1.3850 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 1.6220 2.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 1.9660 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -2.5900 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 2.0280 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 3.2720 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4170 3.8630 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 4.3610 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 2.1060 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1520 3.0500 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5950 1.0720 1.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9310 1.0480 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 27 28 1 0 0 0 0 M END