IBS-ZINC06664110 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 1 0 0 0 0 0999 V2000 0.3960 1.2820 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -0.0950 0.0710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0240 -0.8340 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 0.0700 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 0.4600 1.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -0.5840 1.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.3410 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -1.8560 2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -1.6210 3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -0.8980 4.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -2.2860 4.9140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -3.1090 4.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -3.6720 5.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -3.2670 3.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -2.7030 2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -2.9240 1.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 1.2800 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 0.2940 -1.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 1.8440 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 1.8670 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -0.3230 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -1.5260 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -2.1470 5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -3.8630 3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -0.2210 -0.6260 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3750 2.3160 -1.0380 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