REAL300013458646.mol2 32                                                        
   1       O    -0.69   -24.30    17.80     -20.23      -0.36   -24.66     16
   2       C     0.53    17.06     7.88      36.01       0.28    17.34     16
   3       O    -0.70   -24.38    17.94     -20.22      -0.36   -24.74     16
   4       C    -0.20    -4.87     3.55    -155.63      -0.55    -5.42     16
   5       C    -0.09    -1.84    10.12     -26.74      -0.27    -2.11     16
   6       C    -0.21    -4.01     7.75     -90.62      -0.70    -4.71     16
   7       H     0.11     2.02     8.14     -51.93      -0.42     1.60     16
   8       C     0.18     2.94     4.18     -67.93      -0.28     2.66     16
   9       H     0.10     1.67     7.48     -51.93      -0.39     1.28     16
  10       N    -0.71   -10.05     5.30     -58.68      -0.31   -10.36     16
  11       C     0.71     9.50     8.33     -86.92      -0.72     8.78     16
  12       O    -0.56    -8.52    13.11       5.29       0.07    -8.45     16
  13       N    -0.67    -7.37     5.36     -12.63      -0.07    -7.43     16
  14       C     0.24     2.56     6.64     -81.29      -0.54     2.02     16
  15       C    -0.16    -1.40     8.58     -39.97      -0.34    -1.75     16
  16       C     0.00    -0.01     9.83     -40.13      -0.39    -0.41     16
  17       C    -0.13    -0.76    10.27     -37.00      -0.38    -1.14     16
  18       C     0.19     1.98     7.36     -79.59      -0.59     1.39     16
  19       C     0.14     1.68     7.33     -79.31      -0.58     1.10     16
  20       N    -0.38    -5.33    18.95      35.14       0.67    -4.66     16
  21       N    -0.29    -3.59    19.05      34.97       0.67    -2.92     16
  22       C    -0.09    -1.77     7.41     -26.70      -0.20    -1.97     16
  23       H     0.08     1.35     8.14     -51.93      -0.42     0.92     16
  24       H     0.11     2.33     8.14     -51.93      -0.42     1.90     16
  25       H     0.40     5.26     8.75     -40.82      -0.36     4.90     16
  26       H     0.42     4.02     8.77     -40.82      -0.36     3.66     16
  27       H     0.17     1.75     5.61     -52.49      -0.29     1.45     16
  28       H     0.15     0.31     8.06     -52.49      -0.42    -0.12     16
  29       H     0.16     0.49     8.06     -52.48      -0.42     0.06     16
  30       H     0.09     1.86     8.12     -51.93      -0.42     1.44     16
  31       H     0.07     1.36     8.14     -51.93      -0.42     0.93     16
 Total:         -1.00   -40.08   284.14                 -5.05   -45.13