CHEMBRIDGE-ZINC00453590 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 0 0 0 0 0 0999 V2000 -0.1000 1.5000 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.0050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.6990 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -2.0770 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.7720 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.0660 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.6880 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.0620 -2.4640 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9390 -0.3840 -3.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 1.1260 -2.6080 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1400 -4.2490 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.8510 -1.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -4.9280 1.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -6.3910 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -6.8390 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -6.2980 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -6.3000 1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -6.9330 2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -6.4850 2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -8.4620 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 1.9070 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 1.8420 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 1.8410 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -0.1600 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -2.6180 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.5980 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -4.4470 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -6.7760 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -7.9280 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -6.6170 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -6.6820 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -5.2090 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -6.6860 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -6.6190 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -5.2110 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -6.5490 3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -6.8710 3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -5.3960 2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -6.8690 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -8.7810 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -8.8480 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -8.8460 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 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 27 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END