IBS-ZINC06760728 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.4190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 1.8480 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 0.7360 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -0.3710 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -1.2890 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 3.2690 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 3.7770 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 3.0560 2.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 5.0320 1.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 5.5260 3.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 6.9690 3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 7.5270 4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 8.9690 4.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2330 9.0010 3.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 8.4430 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7770 7.0010 2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7350 10.4220 3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 11.3170 4.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 0.7170 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 3.3030 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 3.8950 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 5.6090 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 5.4920 3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 4.9010 3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 7.5770 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 7.5040 4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9070 6.9190 5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 9.5770 3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 9.3670 5.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 8.3930 4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 9.0510 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3150 8.4660 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 6.3930 3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 6.6030 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 10.6920 3.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2620 11.6190 3.5570 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 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 8 28 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 44 45 1 0 0 0 0 M END