IFLAB-ZINC04341393 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 29 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8060 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -0.3340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -1.6570 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -2.9340 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -3.8360 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -3.2100 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -1.8590 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -0.7960 0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 0.4210 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 0.6600 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -3.8590 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 -5.0500 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4370 -5.6870 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4970 -5.1400 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3330 -3.9540 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 -3.3160 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1830 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1670 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1570 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -3.1300 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 1.2600 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -5.4770 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 -6.6130 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4540 -5.6400 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1630 -3.5290 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 -2.3920 1.2820 H 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 3 4 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END