45

 C          2.368763   -0.277079    0.312988
 C          3.691817   -0.842575   -0.246910
 C          4.796044    0.180864   -0.427699
 O          5.687292    0.268349    0.399673
 O          1.561620   -1.365700    0.735090
 N          1.645032    0.369251   -0.791207
 N          0.428305    0.934512   -0.404376
 C         -0.716281    0.237708   -0.565533
 O         -0.718157   -0.937273   -0.955371
 C          4.755070    1.106772   -1.616344
 C         -1.976235    0.975473   -0.250343
 C         -3.081091    0.238097    0.185204
 C         -4.275242    0.885163    0.483328
 C         -4.374339    2.268915    0.339165
 C         -3.279041    3.003830   -0.109056
 C         -2.079644    2.360940   -0.403492
 C          2.596760    0.605107    1.531531
 H          3.476768   -1.345504   -1.196105
 H          4.044866   -1.576912    0.481040
 H          1.087520   -1.696420   -0.053932
 H          2.201474    1.101641   -1.228014
 H          0.424155    1.820427    0.093321
 H          4.231527    0.665980   -2.468014
 H          5.772932    1.386150   -1.897917
 H          4.230915    2.026724   -1.323536
 H         -3.001060   -0.841035    0.283035
 H         -5.129578    0.309502    0.826487
 H         -5.308109    2.773743    0.568951
 H         -3.358515    4.079046   -0.237000
 H         -1.238408    2.940149   -0.774257
 H          1.639939    0.915561    1.962018
 H          3.165489    1.500297    1.260997
 H          3.155912    0.054430    2.293945
 C         -1.359571   -1.879898    2.370312
 O         -0.657014   -0.653257    2.272804
 H         -0.839323   -2.596931    3.019835
 H         -1.509118   -2.350167    1.388911
 H         -2.341188   -1.672732    2.805788
 H          0.184360   -0.851074    1.815013
 C         -3.418771   -2.463345   -2.099964
 O         -2.682846   -2.913402   -0.974755
 H         -2.810604   -2.470131   -3.013648
 H         -3.815396   -1.449275   -1.954306
 H         -4.261572   -3.144915   -2.242163
 H         -1.932955   -2.294460   -0.880009


