PUBCHEM-ZINC05460107 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 0.4480 1.5560 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 0.0420 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -0.5940 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -0.3100 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -0.9040 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.2700 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -0.2610 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 0.4370 -1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 1.1460 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -1.1020 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -0.9480 3.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -0.4460 4.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 0.5770 5.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 1.0720 6.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 0.5480 7.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.4690 7.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.9720 6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -2.0660 5.8800 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9260 -2.9550 6.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -2.0780 4.9140 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6090 1.0800 8.8070 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0380 0.6210 9.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 1.9770 8.9460 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8690 2.0660 6.5070 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -0.5180 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 1.7540 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 2.0100 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 1.9820 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -1.6730 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -0.1840 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.7600 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -1.9820 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -0.7210 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 1.7500 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 1.5980 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 1.0980 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -1.0880 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -0.6750 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -2.1300 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -1.7200 3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 0.9850 4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -0.8740 8.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -0.3000 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -1.5970 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.0520 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 0.2530 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 25 1 0 0 0 0 3 4 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 4 11 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 46 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 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 41 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 21 1 M CHG 1 23 -1 M END