CHEMBRIDGE-ZINC00474453 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -0.8690 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -1.3480 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -1.4840 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 -1.1420 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -0.6560 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -0.3030 -2.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -1.1480 -3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -2.3180 -2.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -0.4130 -4.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -0.7540 -5.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 0.2030 -6.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 1.4940 -6.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.8500 -5.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 0.9040 -4.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 0.9230 -2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 1.8840 -2.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 3.2340 -5.0430 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7800 4.0640 -5.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 3.5440 -4.0710 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1760 -1.2920 -2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -2.6420 -3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -0.7640 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -1.6160 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -1.8590 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -1.7610 -5.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -0.0620 -7.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 2.2300 -7.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -1.2420 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -0.4890 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 -2.7500 -4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -2.6920 -3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 -3.4450 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 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 17 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END