IBS-ZINC04897884 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -1.7910 1.5450 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 0.3460 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -0.1040 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -1.1970 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -1.8620 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -1.4020 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -0.2920 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -2.2900 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -3.2190 -1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -2.9550 -0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -3.4660 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -4.2720 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -4.3490 -3.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -2.2110 -3.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.0290 -4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -0.0220 -3.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.9570 -5.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -1.4940 -6.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -1.4240 -8.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.8230 -8.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -0.2880 -7.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -0.3570 -6.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 0.2100 -5.1890 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1030 0.8440 -5.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 0.0430 -3.9970 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1950 2.4510 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 1.4540 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 1.5980 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 0.4100 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -1.5380 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 0.0610 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -3.0080 -4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -1.9630 -6.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -1.8390 -8.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -0.7700 -9.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 0.1800 -7.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -5.1890 -1.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -5.8670 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END