IBS-ZINC05279661 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 -0.3840 0.8580 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.4990 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -1.0940 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 1.0240 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 1.6200 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -0.9820 -0.1450 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4560 -1.9300 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 -1.2330 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 -2.0060 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 -2.4100 -0.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -0.0980 0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 -0.1700 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -0.9820 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 -1.0510 3.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 -0.3110 4.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 0.4990 3.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 0.5670 2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 1.4300 1.3660 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6540 1.9970 1.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 1.5730 0.2050 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7910 -0.3880 5.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 -1.2650 6.5640 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1020 -0.8560 6.0630 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 0.8840 6.4920 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 1.3230 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -1.0940 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -2.1540 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 1.6190 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 2.6800 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -1.8070 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.2790 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 0.5370 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -1.5600 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.6820 4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 1.0750 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -2.2460 -2.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 -2.7450 -3.0150 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 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 37 38 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END