IFLAB-ZINC04123431 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.5370 3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 3.0020 3.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 3.4710 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 3.0240 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 3.4480 4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 2.5650 5.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 2.9580 6.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 4.3180 7.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 5.2140 6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 4.7490 4.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 6.5460 6.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 7.4010 5.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 4.7970 8.2260 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8810 5.0700 9.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7340 4.9190 8.2280 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0340 2.0280 7.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 1.5140 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.0030 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.0920 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.2160 4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 3.0470 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 4.5590 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 3.3460 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 3.4700 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 8.4380 5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 7.2720 5.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 7.1440 4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 1.0830 7.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 2.3220 8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END