CHEMBRIDGE-ZINC04689097 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 1.6580 1.0600 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -0.2460 0.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -0.7290 -0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 0.0360 -1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -0.4560 -3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -1.7120 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -2.4820 -2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -1.9970 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -2.7770 -0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -4.1190 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -4.6590 -1.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -4.9350 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -4.3180 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -5.0830 2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -6.4600 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -7.0830 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -6.3240 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -8.4370 1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -9.1560 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -10.6330 2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -11.3880 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -12.7430 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -13.3430 1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -12.5880 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -11.2340 1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.3640 -4.2410 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7810 1.4710 -3.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.0680 -5.3790 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7110 1.0680 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 1.7830 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 1.3230 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 1.0180 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -2.0930 -4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -3.4630 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -2.3520 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -3.2430 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -4.6040 3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -7.0540 3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -6.8080 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -8.9530 3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -8.8380 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -10.9190 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -13.3330 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -14.4010 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -13.0570 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -10.6450 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END