IFLAB-ZINC04136635 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.2150 -0.6750 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 0.0560 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4420 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0990 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 2.2160 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6140 3.4340 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 1.6360 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5030 -0.9500 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -0.7090 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -2.1760 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -2.1000 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -3.0450 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -3.4280 -0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7760 -3.2060 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -4.2320 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -3.4810 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 -3.9570 -3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 -2.9540 -4.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 -2.9940 -5.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -1.8980 -3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -2.2220 -2.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -4.2330 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -3.8040 1.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.5590 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -5.2010 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -4.3780 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 -4.9420 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -0.9450 -4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -5.4260 1.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -5.9050 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 32 1 0 0 0 0 24 25 2 0 0 0 0 24 33 1 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END