REAL300018692299.mol2 42                                                        
   1       O    -0.68   -16.26    18.00     -20.23      -0.36   -16.62     16
   2       C     0.52    10.28     7.51      36.00       0.27    10.55     16
   3       O    -0.68   -15.86    17.46     -20.22      -0.35   -16.21     16
   4       C    -0.15    -1.41     1.43    -149.97      -0.22    -1.62     16
   5       C    -0.10    -0.58     5.93     -24.13      -0.14    -0.72     16
   6       C    -0.14     0.31     5.14     -24.27      -0.12     0.19     16
   7       C     0.04    -0.13     1.61     -86.86      -0.14    -0.27     16
   8       C     0.04    -0.51     5.51      -3.82      -0.02    -0.53     16
   9       N    -0.50     7.56     1.57    -115.06      -0.18     7.38     16
  10       H     0.42    -7.25     8.67     -39.29      -0.34    -7.59     16
  11       H     0.43    -5.92     6.17     -39.30      -0.24    -6.16     16
  12       C     0.04    -0.71     4.64      -4.98      -0.02    -0.74     16
  13       C    -0.14     2.01     5.38    -104.29      -0.56     1.45     16
  14       C    -0.06     0.91     9.66     -39.63      -0.38     0.53     16
  15       C    -0.10     1.56    10.04     -39.49      -0.40     1.16     16
  16       C    -0.04     0.61    10.03     -39.63      -0.40     0.21     16
  17       C    -0.11     1.25     9.75     -39.25      -0.38     0.87     16
  18       C     0.32    -3.40     9.76     -38.72      -0.38    -3.77     16
  19       O    -0.73     5.28    12.33     -57.73      -0.71     4.57     16
  20       O    -0.58     1.48    17.25     -57.73      -1.00     0.48     16
  21       C    -0.10    -0.39     5.71     -22.22      -0.13    -0.51     16
  22       O    -0.39     0.12    11.27     -35.23      -0.40    -0.27     16
  23       C     0.07     0.45     6.75      38.84       0.26     0.71     16
  24       H     0.07     0.51     8.14     -51.93      -0.42     0.08     16
  25       H     0.07     0.47     7.88     -51.93      -0.41     0.06     16
  26       H     0.07    -0.29     8.14     -51.93      -0.42    -0.71     16
  27       H     0.08    -0.32     8.14     -51.93      -0.42    -0.74     16
  28       H     0.15    -1.81     8.14     -51.93      -0.42    -2.23     16
  29       H     0.14    -1.87     8.14     -51.93      -0.42    -2.30     16
  30       H     0.17    -2.31     5.80     -51.93      -0.30    -2.61     16
  31       H     0.14    -2.73     8.00     -51.93      -0.42    -3.14     16
  32       H     0.18    -3.30     8.03     -52.48      -0.42    -3.72     16
  33       H     0.17    -2.77     8.06     -52.49      -0.42    -3.19     16
  34       H     0.18    -2.71     8.06     -52.49      -0.42    -3.14     16
  35       H     0.18    -1.90     7.77     -52.49      -0.41    -2.31     16
  36       H     0.35    -2.28     8.90      45.56       0.41    -1.87     16
  37       H     0.36    -1.57     8.90      45.56       0.41    -1.16     16
  38       H     0.09     0.33     8.14     -51.93      -0.42    -0.09     16
  39       H     0.09     0.39     8.14     -51.93      -0.42    -0.03     16
  40       H     0.07     0.57     8.14     -51.93      -0.42     0.15     16
  41       H     0.08     0.49     7.84     -51.93      -0.41     0.09     16
 Total:          0.00   -41.66   335.96                 -7.06   -48.72