REAL300018030400.mol2 37                                                        
   1       O    -0.69   -23.77    17.80     -20.67      -0.37   -24.14     16
   2       C     0.54    17.34     8.02      34.01       0.27    17.61     16
   3       O    -0.68   -23.45    17.03     -20.67      -0.35   -23.81     16
   4       C    -0.19    -4.67     6.27    -103.36      -0.65    -5.32     16
   5       C     0.09     1.75    11.59     -16.59      -0.19     1.56     16
   6       N    -0.59    -8.92     5.98     -10.46      -0.06    -8.98     16
   7       C     0.11     1.92     7.25     -83.97      -0.61     1.31     16
   8       C    -0.17    -2.42     9.90     -39.21      -0.39    -2.80     16
   9       C     0.23     3.37     6.65     -83.75      -0.56     2.81     16
  10       N    -0.62    -7.34     4.95     -59.79      -0.30    -7.63     16
  11       C     0.16     1.77     4.07      -5.19      -0.02     1.75     16
  12       C    -0.11    -1.13     5.28    -104.29      -0.55    -1.68     16
  13       C    -0.08    -0.47     9.66     -39.63      -0.38    -0.85     16
  14       C    -0.13    -0.63    10.04     -39.49      -0.40    -1.03     16
  15       C    -0.08    -0.48    10.03     -39.63      -0.40    -0.88     16
  16       C    -0.12    -1.30     9.75     -39.25      -0.38    -1.68     16
  17       C     0.28     3.83     9.76     -38.72      -0.38     3.45     16
  18       O    -0.73   -15.26    13.35     -57.73      -0.77   -16.03     16
  19       O    -0.78   -18.22    17.25     -57.73      -1.00   -19.22     16
  20       C    -0.20    -3.17     9.29     -39.37      -0.37    -3.54     16
  21       C     0.00    -0.04     9.84     -39.41      -0.39    -0.43     16
  22       C    -0.09    -1.84     6.27    -104.89      -0.66    -2.50     16
  23       H     0.18     3.08     8.06     -52.49      -0.42     2.66     16
  24       H     0.41     4.31     8.96     -40.82      -0.37     3.95     16
  25       H     0.12     1.38     8.06     -52.49      -0.42     0.96     16
  26       H     0.40     4.29     8.47     -40.82      -0.35     3.95     16
  27       H     0.13     1.92     5.57     -51.93      -0.29     1.63     16
  28       H     0.09     0.73     7.79     -51.93      -0.40     0.33     16
  29       H     0.15     0.52     8.03     -52.49      -0.42     0.10     16
  30       H     0.14     0.27     8.06     -52.48      -0.42    -0.15     16
  31       H     0.15     0.45     8.06     -52.49      -0.42     0.03     16
  32       H     0.16     1.84     7.77     -52.49      -0.41     1.43     16
  33       H     0.31     6.53     8.90      45.56       0.41     6.94     16
  34       H     0.31     6.77     8.90      45.56       0.41     7.17     16
  35       H     0.13     1.76     6.69     -52.49      -0.35     1.41     16
  36       H     0.15     3.10     7.42     -52.49      -0.39     2.71     16
 Total:         -1.00   -46.18   320.76                 -7.91   -54.09