REAL300031261263.mol2 45                                                        
   1       C    -0.16    -1.58     9.48      37.16       0.35    -1.22     16
   2       C     0.14     1.48     2.57     -67.92      -0.17     1.31     16
   3       C    -0.14    -0.89     4.43     -26.73      -0.12    -1.00     16
   4       C     0.14     1.21     2.57     -67.93      -0.17     1.04     16
   5       C    -0.16    -1.15     9.48      37.16       0.35    -0.79     16
   6       N    -0.71    -7.05     3.75     -54.67      -0.21    -7.26     16
   7       C     0.57     7.53     7.74     -12.21      -0.09     7.44     16
   8       O    -0.53    -8.48    16.00       5.35       0.09    -8.39     16
   9       C    -0.13    -1.70     5.88    -104.89      -0.62    -2.32     16
  10       C    -0.04    -0.52     7.86     -39.20      -0.31    -0.83     16
  11       C    -0.13    -1.78     8.65     -39.37      -0.34    -2.12     16
  12       C     0.28     4.71    10.27     -38.82      -0.40     4.31     16
  13       C    -0.10    -1.50     6.30    -104.37      -0.66    -2.16     16
  14       C    -0.05    -0.63     9.58     -39.23      -0.38    -1.01     16
  15       C     0.10     1.74     7.74      35.93       0.28     2.02     16
  16       O    -0.49   -11.02    15.05     -56.57      -0.85   -11.87     16
  17       O    -0.64   -14.53    18.54     -56.57      -1.05   -15.58     16
  18       N    -0.72    -9.30     3.80     -54.85      -0.21    -9.51     16
  19       C     0.60    11.63     7.77     -12.48      -0.10    11.54     16
  20       O    -0.49   -11.67    15.38     -13.01      -0.20   -11.87     16
  21       C    -0.01    -0.24     6.69     -83.92      -0.56    -0.80     16
  22       N    -0.52    -8.70     8.69      24.03       0.21    -8.49     16
  23       S     0.50     9.03    22.78    -107.50      -2.45     6.58     16
  24       N    -0.57   -13.96    12.18      28.50       0.35   -13.62     16
  25       C     0.37     9.82     8.19     -17.49      -0.14     9.67     16
  26       O    -0.58   -18.20    17.64     -37.39      -0.66   -18.86     16
  27       H     0.06     0.49     8.14     -51.93      -0.42     0.07     16
  28       H     0.06     0.84     8.14     -51.93      -0.42     0.42     16
  29       H     0.06     0.47     8.14     -51.93      -0.42     0.05     16
  30       H     0.09     1.19     7.58     -51.93      -0.39     0.80     16
  31       H     0.08     0.38     8.14     -51.93      -0.42    -0.04     16
  32       H     0.10     0.46     8.14     -51.93      -0.42     0.04     16
  33       H     0.09     1.04     7.58     -51.93      -0.39     0.65     16
  34       H     0.06     0.58     8.14     -51.93      -0.42     0.15     16
  35       H     0.07     0.38     8.14     -51.93      -0.42    -0.04     16
  36       H     0.06     0.34     8.14     -51.93      -0.42    -0.08     16
  37       H     0.40     3.17     4.53     -40.82      -0.18     2.99     16
  38       H     0.16     1.37     5.98     -52.49      -0.31     1.05     16
  39       H     0.17     1.96     8.06     -52.49      -0.42     1.54     16
  40       H     0.17     2.10     7.64     -52.49      -0.40     1.70     16
  41       H     0.06     0.97     8.14     -51.93      -0.42     0.55     16
  42       H     0.06     0.86     8.14     -51.93      -0.42     0.43     16
  43       H     0.33     6.64     9.30      45.56       0.42     7.06     16
  44       H     0.39     4.13     6.00     -40.82      -0.24     3.88     16
 Total:         -1.00   -38.34   387.09                 -8.39   -46.73