   43
scf done:        0.058082
 C     3.844628     1.094086     1.062453
 C     3.737814     2.264018     0.249468
 C     2.830863     2.312402    -0.778139
 C     1.975836     1.197382    -1.050140
 C     2.059913     0.046707    -0.223605
 C     3.013056     0.020162     0.841969
 C     1.043839     1.211493    -2.136100
 C     0.237757     0.126384    -2.371907
 C     0.315103    -1.026090    -1.534944
 C     1.200642    -1.067399    -0.487549
 C     4.884603     1.025860     2.170917
 N     6.220393     1.501608     1.710278
 C     4.453295     1.886482     3.340323
 C     4.550722     1.483805     4.604089
 C     6.940229     0.987658     0.636348
 C     6.343864    -0.174132    -0.110237
 O     8.013921     1.480565     0.339829
 C     5.658061     0.069129    -1.307716
 C     5.116613    -1.014980    -2.016085
 C     5.261966    -2.332087    -1.560011
 C     5.964215    -2.545015    -0.367653
 C     6.513679    -1.476262     0.363093
 N     6.128911    -3.928658     0.142514
 O     5.700107    -4.833447    -0.548627
 O     6.674970    -4.058047     1.223934
 N     4.361628    -0.758531    -3.269591
 O     3.864192    -1.720539    -3.824317
 O     4.296805     0.395169    -3.652130
 H     4.388516     3.112841     0.458302
 H     2.746933     3.199411    -1.407534
 H     3.060740    -0.869694     1.468819
 H     0.994322     2.095096    -2.772362
 H    -0.469968     0.124671    -3.200753
 H    -0.340521    -1.870678    -1.747075
 H     1.262309    -1.942342     0.157781
 H     5.003779    -0.045611     2.501589
 H     6.616970     2.310375     2.196844
 H     4.043482     2.861491     3.068880
 H     4.233356     2.092830     5.442333
 H     4.947991     0.524330     4.909499
 H     5.530500     1.093688    -1.689664
 H     4.832815    -3.177101    -2.125065
 H     7.067153    -1.677130     1.291444
