IBS-ZINC05279661 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.4980 0.7480 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -0.6270 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -1.1410 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -0.2860 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 1.0970 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 1.6090 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -0.8820 -0.2830 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5150 -1.8920 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.9570 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.9160 -1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 -3.1320 -1.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -0.0660 0.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -0.0810 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 -0.8310 2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -0.8690 4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -0.1530 4.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 0.5900 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 0.6230 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 1.4220 1.3890 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9820 1.5690 1.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 1.9250 0.3750 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8530 -0.2090 5.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -0.3310 6.8060 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -1.2590 6.3040 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 0.9050 6.4350 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 1.1470 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -1.3010 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -2.2180 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 1.7810 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 2.6810 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -1.3590 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 0.0270 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 0.5800 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -1.4060 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -1.4680 4.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 1.1450 4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 -1.3800 -2.2960 O 0 5 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 37 -1 M END