CHEMBRIDGE-ZINC02106543 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 0.0160 1.4450 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.0850 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.6480 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -2.1780 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.7400 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -4.2620 -0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2690 -4.6650 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -4.8320 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -5.6690 0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 2.0080 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 3.5380 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 4.1010 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 5.6260 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 6.2840 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 5.5100 0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 1.8010 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.8190 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -0.4590 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -0.4400 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -0.2740 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -0.2920 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -2.5510 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -2.5270 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -2.3770 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -2.3420 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 1.6520 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 1.6350 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 3.8940 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 3.9110 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 3.7410 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 3.7250 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 5.9820 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 5.9990 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -4.4340 -1.0470 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2540 -4.8420 1.2000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0590 -5.5010 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -4.1850 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -5.4100 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 7.5490 0.0170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 35 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 M CHG 1 34 -1 M CHG 1 35 1 M CHG 1 39 -1 M END