IFLAB-ZINC04138061 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 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 -0.7800 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1710 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.4080 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.5590 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.5080 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -3.2990 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1140 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7840 -1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.4480 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -5.8930 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -6.3440 1.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -7.5210 2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -8.2080 2.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -7.9760 2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -7.1890 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -7.6200 2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 -8.8280 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 -9.6130 3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -9.1970 2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -10.9040 3.8850 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8180 -11.2740 4.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -11.5960 4.2450 O 0 5 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 0.0280 -0.4440 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -3.4550 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -5.4260 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -3.2700 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -6.6210 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -5.7950 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -5.7960 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -6.2450 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -7.0120 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 -9.1600 2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -9.8120 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END