IFLAB-ZINC04136847 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 0.1670 1.6320 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 0.1240 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -0.4630 -1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -1.8340 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -2.7020 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -4.0880 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -4.6190 -1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -3.7580 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -2.3660 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -1.5240 -3.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -0.5240 -3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -2.0300 -4.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -3.3360 -4.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -4.3020 -3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -5.5120 -3.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -3.7690 -5.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -3.3170 -7.0020 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2200 1.9290 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 1.9830 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 2.1330 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -0.2000 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.1460 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -2.3350 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -4.7550 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -5.6970 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 -1.2750 -5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 -4.4730 -5.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 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 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 27 2 0 0 0 0 M CHG 1 17 -1 M END