IBS-ZINC01468991 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2040 -0.6870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 2.1670 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 1.5330 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 2.2500 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 1.5920 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 0.3750 -0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4290 2.3440 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7060 1.8160 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5680 2.9290 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8190 4.0110 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 3.7040 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8410 4.3410 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0510 2.8890 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7160 1.6700 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0950 1.6340 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8240 2.8080 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1650 4.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7820 4.0710 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0980 5.0230 0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3250 4.4400 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1700 3.0370 -0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -0.6580 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -1.7670 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 3.2470 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 3.2200 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9840 0.7730 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1510 0.7530 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6080 0.6870 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2690 5.0180 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4350 4.6020 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1790 4.8490 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -0.8480 -0.9210 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 27 40 1 0 0 0 0 M END