REAL300018001632.mol2 43                                                        
   1       O    -0.67    -6.90    15.81     -20.23      -0.32    -7.22     16
   2       C     0.50     4.62     6.46      36.00       0.23     4.85     16
   3       O    -0.63    -9.75    18.00     -20.23      -0.36   -10.11     16
   4       C     0.00     0.00     2.49     -70.02      -0.17    -0.17     16
   5       N    -0.47     2.00     1.03    -110.46      -0.11     1.89     16
   6       H     0.42    -2.33     6.48     -39.29      -0.25    -2.58     16
   7       H     0.42    -2.35     6.43     -39.29      -0.25    -2.61     16
   8       C     0.05    -0.23     4.29      -4.97      -0.02    -0.25     16
   9       C    -0.13     0.85     5.38    -104.29      -0.56     0.29     16
  10       C    -0.05     0.43     9.66     -39.63      -0.38     0.05     16
  11       C    -0.10     1.03    10.04     -39.48      -0.40     0.63     16
  12       C    -0.05     0.49    10.03     -39.63      -0.40     0.09     16
  13       C    -0.11     0.80     9.76     -39.25      -0.38     0.41     16
  14       C     0.32    -1.64     9.71     -38.72      -0.38    -2.02     16
  15       O    -0.72     0.85    12.09     -57.73      -0.70     0.15     16
  16       O    -0.61    -1.02    17.28     -57.73      -1.00    -2.02     16
  17       C    -0.10    -0.19     4.78    -104.97      -0.50    -0.69     16
  18       C    -0.06    -0.17     9.36     -39.48      -0.37    -0.54     16
  19       C    -0.05    -0.14     5.74    -106.84      -0.61    -0.76     16
  20       C    -0.10    -0.18     9.77     -39.49      -0.39    -0.57     16
  21       C    -0.11    -0.11     9.95     -39.94      -0.40    -0.51     16
  22       C    -0.11    -0.08     9.95     -39.94      -0.40    -0.48     16
  23       C    -0.11    -0.12     9.77     -39.49      -0.39    -0.50     16
  24       C    -0.05    -0.11     5.74    -106.83      -0.61    -0.73     16
  25       C    -0.09    -0.08     9.77     -39.48      -0.39    -0.47     16
  26       C    -0.12    -0.08     9.20     -39.93      -0.37    -0.45     16
  27       H     0.14     0.12     7.86     -51.93      -0.41    -0.29     16
  28       H     0.16    -0.49     6.12     -51.93      -0.32    -0.81     16
  29       H     0.15    -0.45     6.35     -51.93      -0.33    -0.78     16
  30       H     0.18    -1.72     8.03     -52.49      -0.42    -2.14     16
  31       H     0.17    -1.98     8.06     -52.49      -0.42    -2.40     16
  32       H     0.17    -2.08     8.06     -52.48      -0.42    -2.50     16
  33       H     0.18    -1.22     7.80     -52.49      -0.41    -1.63     16
  34       H     0.34    -0.55     8.91      45.56       0.41    -0.15     16
  35       H     0.35    -0.15     8.91      45.56       0.41     0.25     16
  36       H     0.14     0.24     8.00     -52.48      -0.42    -0.18     16
  37       H     0.13     0.01     8.06     -52.49      -0.42    -0.41     16
  38       H     0.13    -0.13     8.06     -52.49      -0.42    -0.55     16
  39       H     0.13    -0.17     8.06     -52.49      -0.42    -0.59     16
  40       H     0.13    -0.14     8.06     -52.49      -0.42    -0.57     16
  41       H     0.13    -0.21     8.06     -52.48      -0.42    -0.63     16
  42       H     0.12    -0.26     6.72     -52.48      -0.35    -0.61     16
 Total:          0.00   -23.63   354.07                 -9.35   -32.98