IBS-ZINC06664109 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 1 0 0 0 0 0999 V2000 0.4530 1.4450 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 0.0240 -0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2020 -0.6290 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 0.1160 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 0.3840 -1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.5680 -1.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -1.3030 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -1.9100 -2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -1.8210 -3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -1.1470 -3.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -2.5690 -4.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -3.3530 -4.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -3.9980 -5.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -3.3750 -3.8210 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -2.7100 -2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -2.8120 -1.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 1.5650 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 0.6660 1.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 1.9430 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 2.0400 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -0.4050 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -1.3810 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.5310 -5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 -3.9410 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -0.1050 1.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4770 2.6040 0.4440 O 0 5 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 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 17 18 2 0 0 0 0 17 26 1 0 0 0 0 M CHG 1 25 -1 M CHG 1 26 -1 M END