IBS-ZINC02132556 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.0260 -2.0280 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -2.0710 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -1.8790 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.9890 0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -1.1520 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -2.2730 2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -2.2980 3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -1.2030 4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -0.0800 3.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.0580 2.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -1.2270 5.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 -1.1590 5.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -1.2250 6.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -0.1000 7.2960 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6150 -1.0130 4.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 -0.9960 4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 -1.2250 4.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 -0.7130 2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6390 -1.3720 2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1300 -1.1310 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4770 -0.2260 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3380 0.4460 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 0.2080 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -1.0580 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.8130 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -2.1590 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -3.0410 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -0.9080 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -1.8890 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -2.6690 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -3.1460 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -3.1830 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 0.7830 4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 0.8230 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -1.3140 6.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -0.9220 3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1530 -2.0770 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0220 -1.6460 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8620 -0.0360 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 1.1620 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 0.7670 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 -2.3880 7.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 42 2 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 14 -1 M END