72
NELQEA01
C       4.267568   -1.123112   -1.657474
O       5.334076   -0.803292   -0.761780
C       3.039694   -0.446036   -1.066930
O       3.521356    0.262059    0.069153
C       1.948417   -1.374475   -0.542247
O       2.118859   -2.564973   -0.439066
C       0.637001   -0.692051   -0.136110
O      -0.460845   -1.575565   -0.262342
C       0.272864    0.471707   -1.046075
O      -0.395692   -0.216065   -2.116298
C       1.439489    1.252537   -1.576247
O       2.495068    0.408599   -2.054829
C       5.315914    1.615141   -0.860569
C       5.574517    0.343351    1.306221
C       4.964200    0.381858   -0.066958
C      -1.064721   -1.352012   -1.568563
C      -2.528665   -1.054655   -1.340249
C      -0.798757   -2.517909   -2.474137
H       4.136275   -2.102893   -1.711260
H       4.456298   -0.775482   -2.565243
H       0.702826   -0.371162    0.808979
H      -0.365923    1.083535   -0.580665
H       1.130469    1.834415   -2.313878
H       1.792350    1.835485   -0.857276
H       5.049770    2.414155   -0.357839
H       4.842719    1.598027   -1.717846
H       6.281840    1.637604   -1.019731
H       5.327164    1.155200    1.795780
H       6.549763    0.293079    1.228287
H       5.243272   -0.442827    1.788096
H      -2.967431   -1.845112   -0.964848
H      -2.950173   -0.820406   -2.193135
H      -2.615724   -0.304845   -0.715678
H      -1.247556   -3.314783   -2.121787
H       0.166738   -2.681562   -2.522434
H      -1.141228   -2.320027   -3.370929
C       9.119069    5.013356    5.328066
O      10.493104    4.933134    5.613459
C       8.489024    3.879548    6.149120
O       9.565332    3.304087    6.846137
C       7.802300    2.759645    5.347824
O       7.805836    2.762854    4.134904
C       7.110825    1.697503    6.169975
O       6.109477    1.012940    5.433442
C       6.323932    2.323236    7.307156
O       5.115612    2.686911    6.638678
C       6.968060    3.522292    7.951486
O       7.506395    4.445382    7.003103
C      10.618138    5.152408    8.028322
C      11.963708    3.474158    6.740761
C      10.680914    4.246431    6.826379
C       4.838556    1.637604    5.706761
C       3.926077    0.597923    6.312672
C       4.257426    2.256919    4.462009
H       8.951166    4.882861    4.361023
H       8.753293    5.891522    5.602483
H       7.780284    1.048237    6.530010
H       6.129002    1.631186    8.001978
H       6.295251    3.988650    8.508002
H       7.695102    3.215308    8.548616
H      10.754875    4.624010    8.841692
H       9.740319    5.587747    8.063448
H      11.318438    5.833762    7.959170
H      12.109880    2.989616    7.580475
H      12.707570    4.093474    6.588186
H      11.911143    2.836659    5.999837
H       3.752318   -0.108033    5.655170
H       3.079602    1.017218    6.572819
H       4.354363    0.208578    7.104088
H       4.059908    1.554172    3.808898
H       4.903147    2.886931    4.078923
H       3.431139    2.733974    4.689225
