PUBCHEM-ZINC04306191 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -1.9610 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -2.4370 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -2.1060 0.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -0.6580 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.1820 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -2.5860 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -3.2410 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5270 -3.7160 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 -3.5160 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 -2.8220 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 -2.3810 2.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6250 -2.5990 3.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 -1.8680 4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1410 -1.7610 5.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4520 -2.7580 5.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 -0.9870 6.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5340 0.2180 6.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8030 -0.2760 6.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2740 -1.0260 4.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7410 -4.0280 1.0090 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.9740 -5.1460 1.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6500 -3.3300 0.5960 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.9940 -4.4010 -1.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -2.4770 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -2.1800 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -1.9410 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -3.5160 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -0.1420 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -0.4400 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 0.8970 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -0.6780 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5380 -2.9270 3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -2.4000 4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7790 -0.8690 4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5920 -1.6090 7.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5620 -0.6430 6.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7470 0.4090 7.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1250 1.1070 6.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3980 -0.9220 6.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3960 0.5690 5.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -4.5360 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 -4.7440 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.5120 0.0120 N 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 29 1 0 0 0 0 2 30 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END