IFLAB-ZINC00150004 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 0.0080 1.5000 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.0260 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -0.5570 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -0.5190 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -0.2570 1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 0.4030 2.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -0.9390 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 -1.0010 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -1.7480 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -2.4160 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -2.3260 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -1.5850 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -1.3140 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -1.7380 -1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6820 -3.2160 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 -3.7880 -2.2990 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0390 1.8490 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 1.8710 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 1.9590 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -0.4080 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -0.1810 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.6520 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.2580 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -0.4940 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 -1.8210 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -2.8260 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7900 -3.2540 -0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 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 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 7 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 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 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 26 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 27 2 0 0 0 0 M CHG 1 16 -1 M END