PUBCHEM-ZINC04673506 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.9660 0.0600 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -1.4470 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -1.6910 -1.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.9760 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -3.8690 -1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -3.2710 -2.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -4.6690 -3.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -4.8480 -4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -3.7780 -5.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -2.3800 -5.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.2010 -3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -4.0740 -6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -5.2320 -6.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -2.9910 -7.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -2.1060 -7.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -1.0940 -8.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -0.9570 -8.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 -1.8360 -8.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -2.8440 -7.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -3.7760 -6.9240 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0530 -3.7310 -7.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 -4.5880 -6.1080 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9600 0.0390 -9.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 0.1220 -9.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -0.2320 -9.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -0.4320 -9.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 0.4810 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 0.5290 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 0.2430 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -1.9170 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -1.8680 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -4.9060 -3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -5.3290 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -5.8180 -4.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -4.7870 -4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -1.7200 -5.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -2.1430 -5.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -1.2320 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -2.2590 -3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -2.2140 -7.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -1.7260 -8.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 0.9580 -10.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 0.2750 -8.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 -0.8040 -10.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -1.4250 -9.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -0.3450 -8.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 0.3220 -9.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 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 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END