REAL300031115291.mol2 43                                                        
   1       C    -0.20    -1.38     7.47      37.16       0.28    -1.11     16
   2       C     0.10     0.72     2.69     -66.96      -0.18     0.54     16
   3       C     0.14     1.39     3.19     -66.09      -0.21     1.18     16
   4       N    -0.72    -9.47     4.49     -53.07      -0.24    -9.71     16
   5       C     0.61    11.74     7.81     -12.48      -0.10    11.64     16
   6       O    -0.50   -11.38    15.36     -13.01      -0.20   -11.58     16
   7       C    -0.04    -0.79     6.69     -83.92      -0.56    -1.35     16
   8       N    -0.51    -9.50    10.83      24.04       0.26    -9.24     16
   9       S     0.45     8.36    24.20    -107.50      -2.60     5.75     16
  10       N    -0.58   -14.44    12.18      28.50       0.35   -14.09     16
  11       C     0.38    10.16     8.19     -17.49      -0.14    10.01     16
  12       O    -0.61   -19.52    17.64     -37.37      -0.66   -20.18     16
  13       C    -0.15    -1.29     6.77     -24.59      -0.17    -1.46     16
  14       C     0.11     0.93     6.89      -2.53      -0.02     0.91     16
  15       N    -0.60    -5.11     3.06    -166.03      -0.51    -5.62     16
  16       C     0.58     5.73     7.66     -12.22      -0.09     5.64     16
  17       O    -0.52    -6.80    16.62       5.34       0.09    -6.71     16
  18       C    -0.13    -1.04     5.35    -104.89      -0.56    -1.60     16
  19       C    -0.08    -0.53     6.17     -39.20      -0.24    -0.77     16
  20       C    -0.14    -1.06    10.08     -39.37      -0.40    -1.46     16
  21       C     0.28     3.08    10.27     -38.82      -0.40     2.69     16
  22       C    -0.10    -0.94     6.30    -104.38      -0.66    -1.60     16
  23       C    -0.04    -0.32     9.58     -39.23      -0.38    -0.69     16
  24       C     0.10     1.11     7.74      35.93       0.28     1.38     16
  25       O    -0.47    -7.95    15.05     -56.57      -0.85    -8.80     16
  26       O    -0.61   -10.54    18.54     -56.57      -1.05   -11.59     16
  27       H     0.08     0.66     5.66     -51.93      -0.29     0.36     16
  28       H     0.08     0.53     4.18     -52.27      -0.22     0.31     16
  29       H     0.09     0.54     8.14     -51.93      -0.42     0.12     16
  30       H     0.11     0.48     6.21     -51.93      -0.32     0.16     16
  31       H     0.12     1.22     7.55     -51.93      -0.39     0.82     16
  32       H     0.41     4.93     5.79     -40.82      -0.24     4.69     16
  33       H     0.10     1.03     8.14     -51.93      -0.42     0.60     16
  34       H     0.09     0.66     8.14     -51.93      -0.42     0.24     16
  35       H     0.09     0.76     8.02     -51.93      -0.42     0.34     16
  36       H     0.08     0.70     8.14     -51.93      -0.42     0.28     16
  37       H     0.20     0.94     2.16     -55.20      -0.12     0.82     16
  38       H     0.17     1.03     8.06     -52.48      -0.42     0.61     16
  39       H     0.17     1.23     7.67     -52.49      -0.40     0.83     16
  40       H     0.07     0.67     8.14     -51.93      -0.42     0.24     16
  41       H     0.07     0.65     8.14     -51.93      -0.42     0.23     16
  42       H     0.34     4.99     9.30      45.56       0.42     5.42     16
 Total:         -1.00   -37.80   364.27                 -8.41   -46.21