REAL300033925966.mol2 43                                                        
   1       C     0.09     1.08     9.22      59.85       0.55     1.63     16
   2       N    -0.61    -8.82     2.87    -182.82      -0.53    -9.35     16
   3       C     0.13     1.38     5.41      -4.04      -0.02     1.36     16
   4       C    -0.14    -1.41     4.29     -90.24      -0.39    -1.80     16
   5       C     0.12     1.07     8.20      -8.50      -0.07     1.00     16
   6       N    -0.64    -7.68     3.69    -186.47      -0.69    -8.37     16
   7       C     0.60     8.01     8.00     -12.32      -0.10     7.91     16
   8       O    -0.53    -8.15    17.15       5.33       0.09    -8.06     16
   9       C    -0.11    -1.32     5.87    -104.97      -0.62    -1.94     16
  10       C    -0.05    -0.52     9.59     -39.09      -0.37    -0.90     16
  11       C    -0.12    -1.10    10.02     -39.68      -0.40    -1.50     16
  12       C    -0.06    -0.84     6.31    -104.21      -0.66    -1.50     16
  13       C     0.24     4.04    10.26     -38.85      -0.40     3.64     16
  14       C    -0.11    -1.63     9.21     -38.92      -0.36    -1.99     16
  15       O    -0.60   -15.04    18.54     -56.57      -1.05   -16.09     16
  16       O    -0.51   -11.35    15.05     -56.57      -0.85   -12.20     16
  17       C     0.10     1.55     7.74      35.94       0.28     1.83     16
  18       C     0.09     1.15     6.07      -8.63      -0.05     1.10     16
  19       C     0.60    12.21     7.65     -12.48      -0.10    12.12     16
  20       O    -0.49   -11.70    15.29     -12.84      -0.20   -11.90     16
  21       C    -0.02    -0.45     6.45     -83.92      -0.54    -0.99     16
  22       N    -0.50    -9.21     7.63      24.02       0.18    -9.03     16
  23       S     0.47     8.45    24.20    -107.50      -2.60     5.84     16
  24       N    -0.57   -14.04    12.18      28.49       0.35   -13.69     16
  25       C     0.37    10.06     8.18     -17.49      -0.14     9.92     16
  26       O    -0.57   -18.43    17.66     -37.19      -0.66   -19.09     16
  27       H     0.06     0.65     8.06     -51.93      -0.42     0.23     16
  28       H     0.09     1.17     5.87     -51.92      -0.31     0.86     16
  29       H     0.06     0.50     7.83     -51.93      -0.41     0.09     16
  30       H     0.09     1.10     7.04     -51.93      -0.37     0.73     16
  31       H     0.09     0.63     7.85     -51.93      -0.41     0.22     16
  32       H     0.11     1.11     8.14     -51.93      -0.42     0.68     16
  33       H     0.09     0.69     8.10     -51.93      -0.42     0.27     16
  34       H     0.08     0.69     8.14     -51.93      -0.42     0.26     16
  35       H     0.16     1.32     7.66     -52.48      -0.40     0.92     16
  36       H     0.16     0.93     8.06     -52.48      -0.42     0.51     16
  37       H     0.17     2.65     3.90     -52.48      -0.20     2.44     16
  38       H     0.34     7.72     9.30      45.56       0.42     8.15     16
  39       H     0.06     0.77     8.14     -51.92      -0.42     0.35     16
  40       H     0.06     0.78     8.14     -51.93      -0.42     0.35     16
  41       H     0.09     1.25     6.16     -51.93      -0.32     0.93     16
  42       H     0.11     1.40     7.89     -51.93      -0.41     0.99     16
 Total:         -1.00   -39.35   377.03                 -9.00   -48.35