IFLAB-ZINC03865791 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5460 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 1.3390 -0.3910 1.1940 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -1.4310 0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.5160 2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.2020 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 2.0060 -0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8810 1.8300 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 3.4350 0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 4.1680 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 3.6440 -0.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 5.4820 0.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 6.2790 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 7.7060 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 8.0250 0.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.9180 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.9080 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -0.4060 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -0.3820 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 1.7240 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 1.0360 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 3.8530 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 5.9010 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 5.8710 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 6.2480 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 8.6230 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 9.5250 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 22 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 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 M END