REAL300019783852.mol2 42                                                        
   1       O    -0.47   -12.33    11.49       5.55       0.06   -12.26     16
   2       C     0.50    10.12     7.54     -10.99      -0.08    10.04     16
   3       C    -0.13    -1.86     4.00     -27.88      -0.11    -1.97     16
   4       C    -0.07    -1.01     4.62     -27.88      -0.13    -1.14     16
   5       C    -0.07    -0.79     5.16    -104.37      -0.54    -1.32     16
   6       C    -0.08    -0.59     9.69     -39.58      -0.38    -0.97     16
   7       C    -0.10    -0.46    10.04     -39.48      -0.40    -0.85     16
   8       C    -0.11    -0.58    10.04     -39.61      -0.40    -0.98     16
   9       C    -0.08    -0.74     6.31    -104.37      -0.66    -1.40     16
  10       C     0.26     3.21     9.97     -38.85      -0.39     2.83     16
  11       O    -0.52    -9.66    17.75     -56.57      -1.00   -10.67     16
  12       O    -0.48    -8.13    15.05     -56.57      -0.85    -8.99     16
  13       C     0.09     1.06     7.74      35.91       0.28     1.34     16
  14       N    -0.62   -11.24     2.80    -167.64      -0.47   -11.71     16
  15       C     0.11     1.39     6.10      -4.25      -0.03     1.37     16
  16       C    -0.10    -1.25     6.65      37.01       0.25    -1.00     16
  17       S    -0.27    -4.19    22.29    -107.50      -2.40    -6.58     16
  18       C    -0.07    -1.38     5.72      37.28       0.21    -1.17     16
  19       C     0.27     5.69     3.26     -69.02      -0.23     5.47     16
  20       C     0.08     2.32     4.41    -156.73      -0.69     1.63     16
  21       N    -0.37   -11.36    10.60      32.43       0.34   -11.01     16
  22       N    -0.19    -6.47    13.40      60.35       0.81    -5.66     16
  23       N    -0.20    -6.67    13.47      60.35       0.81    -5.86     16
  24       N    -0.39   -12.07    12.16      32.43       0.39   -11.68     16
  25       H     0.09     1.26     7.62     -51.93      -0.40     0.86     16
  26       H     0.09     0.99     7.91     -51.93      -0.41     0.58     16
  27       H     0.10     1.43     8.01     -51.94      -0.42     1.01     16
  28       H     0.10     1.85     7.30     -51.93      -0.38     1.48     16
  29       H     0.16     0.85     8.06     -52.49      -0.42     0.42     16
  30       H     0.15     0.23     8.06     -52.49      -0.42    -0.19     16
  31       H     0.16     0.36     8.06     -52.48      -0.42    -0.06     16
  32       H     0.36     5.53     9.30      45.56       0.42     5.95     16
  33       H     0.07     0.61     8.14     -51.93      -0.42     0.19     16
  34       H     0.07     0.63     8.14     -51.93      -0.42     0.21     16
  35       H     0.09     0.90     5.73     -51.93      -0.30     0.60     16
  36       H     0.08     0.93     8.14     -51.93      -0.42     0.51     16
  37       H     0.11     1.05     8.14     -51.93      -0.42     0.63     16
  38       H     0.09     1.16     8.14     -51.93      -0.42     0.73     16
  39       H     0.11     2.17     8.14     -51.93      -0.42     1.74     16
  40       H     0.10     2.10     7.99     -51.92      -0.41     1.69     16
  41       H     0.09     1.82     8.14     -51.93      -0.42     1.40     16
 Total:         -1.00   -43.11   355.28                 -6.35   -49.46