PUBCHEM-ZINC06974228 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.5070 1.5010 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 0.0830 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.6030 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -1.9050 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -2.6590 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -3.8330 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -1.9240 -1.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.5570 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 0.0250 -2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -2.6040 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -2.2470 2.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -1.1180 3.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.9510 4.6800 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5380 0.2690 5.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -0.1230 6.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.9680 7.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -2.1870 6.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.8850 5.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.0970 2.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 0.8590 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -3.6840 2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -4.3260 2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -5.8380 3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 2.0370 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 1.9270 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 1.6340 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -2.5140 -3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -2.1090 -2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -3.6620 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 0.8830 5.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 0.8390 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 0.7720 6.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -0.6460 6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.8030 7.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.7290 6.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -2.8000 5.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -1.3720 6.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -3.8170 3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -4.2000 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -4.0870 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -3.8980 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -6.1150 4.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -6.3030 2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -6.4340 3.1980 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5130 -6.2520 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -7.4580 3.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 -6.0710 3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 13 1 M CHG 1 44 1 M END