IBS-ZINC04752104 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 -0.0530 1.3100 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -0.0450 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -0.6540 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 1.4500 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 2.0590 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 2.2040 -0.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 3.4840 -0.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 4.1960 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 5.6170 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 6.7440 -1.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 3.5490 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 3.0360 -1.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -0.5640 0.0060 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8880 -1.6930 -0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 0.0270 0.4510 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0250 1.7810 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -0.6290 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -1.7130 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 3.1170 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 1.7660 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 3 0 0 0 0 12 13 3 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END