REAL300018290276.mol2 37                                                        
   1       C     0.02     0.26     9.81     101.05       0.99     1.26     16
   2       O    -0.30    -4.27     9.72     -19.77      -0.19    -4.46     16
   3       C     0.11     1.71     6.70     -39.15      -0.26     1.45     16
   4       C    -0.16    -2.95     8.58     -39.03      -0.33    -3.28     16
   5       C    -0.06    -1.36     5.87    -104.99      -0.62    -1.98     16
   6       C     0.52    15.12     7.99      34.35       0.27    15.39     16
   7       O    -0.67   -21.44    17.23     -20.59      -0.35   -21.80     16
   8       O    -0.67   -21.35    17.23     -20.59      -0.35   -21.71     16
   9       C    -0.06    -1.08     9.58     -39.17      -0.38    -1.45     16
  10       C    -0.15    -2.23     9.28     -39.48      -0.37    -2.60     16
  11       C     0.21     3.09     6.67     -83.67      -0.56     2.54     16
  12       N    -0.58    -7.39     5.69     -59.69      -0.34    -7.73     16
  13       C     0.14     1.49     4.71      -5.20      -0.02     1.47     16
  14       C    -0.14    -1.49     5.25    -104.29      -0.55    -2.04     16
  15       C    -0.08    -0.56     9.66     -39.63      -0.38    -0.94     16
  16       C    -0.14    -0.96    10.04     -39.48      -0.40    -1.35     16
  17       C    -0.08    -0.64    10.03     -39.63      -0.40    -1.03     16
  18       C    -0.14    -1.54     9.87     -39.25      -0.39    -1.93     16
  19       C     0.17     2.50     8.94     -38.72      -0.35     2.15     16
  20       O    -0.69   -17.86    16.78     -57.73      -0.97   -18.83     16
  21       O    -0.69   -18.44    17.89     -57.73      -1.03   -19.47     16
  22       H     0.11     0.85     8.14     -51.92      -0.42     0.43     16
  23       H     0.07     0.79     7.66     -51.93      -0.40     0.39     16
  24       H     0.07     0.68     7.66     -51.93      -0.40     0.29     16
  25       H     0.15     2.88     5.86     -52.49      -0.31     2.57     16
  26       H     0.15     2.74     7.63     -52.49      -0.40     2.34     16
  27       H     0.15     1.61     6.69     -52.49      -0.35     1.26     16
  28       H     0.42     5.39     7.80     -40.82      -0.32     5.07     16
  29       H     0.12     1.60     4.70     -51.93      -0.24     1.35     16
  30       H     0.10     0.69     7.75     -51.93      -0.40     0.29     16
  31       H     0.14     0.65     8.00     -52.49      -0.42     0.23     16
  32       H     0.14     0.52     8.06     -52.49      -0.42     0.10     16
  33       H     0.14     0.66     8.06     -52.49      -0.42     0.24     16
  34       H     0.15     1.63     8.06     -52.49      -0.42     1.21     16
  35       H     0.27     5.67     6.79      45.56       0.31     5.98     16
  36       H     0.28     6.01     8.83      45.56       0.40     6.41     16
 Total:         -1.00   -47.01   319.21                 -6.38   -53.39