PUBCHEM-ZINC05091629 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 54 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7730 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0810 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6920 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0130 -2.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 0.3620 -3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 0.1210 -2.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 1.1060 -4.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2470 2.1190 -4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 0.3160 -5.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -1.0610 -5.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -2.2360 -5.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -3.4270 -5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -3.4180 -5.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -2.2190 -5.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -1.0530 -5.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 0.3320 -5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 1.1280 -4.3230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0690 2.1520 -4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 0.3980 -3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 0.1920 -2.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 0.9700 -6.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 0.9620 -6.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 1.5010 -7.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 2.0600 -8.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 2.0680 -8.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.5190 -7.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.8290 2.4660 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0670 -2.2240 3.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.0470 2.4620 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8520 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.6190 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 0.2820 -5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -2.2400 -5.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -4.3650 -5.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -4.3500 -5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -2.2100 -5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 0.3120 -5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 1.4920 -7.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 2.4920 -9.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 2.5060 -9.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 1.5240 -7.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 40 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END