CHEMDIV-ZINC04970991 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.8690 -0.9100 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -0.0270 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 1.4110 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -0.5430 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -0.9510 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -1.4240 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -1.4890 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -1.0780 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -0.6010 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -1.9680 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 -1.7440 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 -1.0480 2.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4870 -2.3600 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1430 -1.9690 2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1570 -2.6940 3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8590 -2.0110 4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2990 -0.8180 3.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8430 -0.8050 2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0640 0.2630 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7380 1.3440 1.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7430 2.1930 0.6940 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.7020 2.1330 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6200 1.5510 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5820 0.2140 0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4080 3.6210 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0620 4.6580 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7540 5.9680 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7940 6.2420 1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1410 5.2050 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4510 3.8950 1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -0.5370 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -1.9340 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -0.8860 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.0510 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 1.4340 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 2.0390 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.7840 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.9000 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -1.7430 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -1.1270 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -0.2780 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -2.4610 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0790 -2.0100 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 -3.4460 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6860 -3.6560 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0470 -2.3300 5.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8870 -0.0490 4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8860 1.5420 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6690 2.0600 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8120 4.4440 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2650 6.7780 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 7.2650 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3900 5.4190 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9440 3.0850 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END