IBS-ZINC06661352 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.0620 1.6010 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 0.0780 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -0.5270 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -1.9890 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -2.5460 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -4.2160 1.0540 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -4.2240 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -2.9740 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -2.7520 2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -1.5720 3.0970 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2440 -5.3620 2.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -6.6270 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -7.0520 2.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -7.6360 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -7.2920 4.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -8.9000 3.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -9.9910 4.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -11.2680 3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -12.1880 2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -13.2070 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -12.8450 3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -11.6680 4.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -1.8100 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -0.3910 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -0.2120 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 2.0600 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 2.0590 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 1.8570 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -0.3400 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.0430 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -5.1780 3.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -9.0360 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -9.9490 4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -9.8630 5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -12.1260 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -14.0950 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -13.2910 3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -2.0670 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -2.0400 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 0.2690 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -1.2840 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 0.1490 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -3.7880 3.5470 O 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 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 43 2 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 10 -1 M END