REAL300034187636.mol2 41                                                        
   1       O    -0.49   -11.66    15.29     -13.01      -0.20   -11.86     16
   2       C     0.61    12.12     7.81     -12.48      -0.10    12.02     16
   3       N    -0.70    -9.29     5.43     -54.85      -0.30    -9.58     16
   4       C     0.11     1.23     5.20     -67.93      -0.35     0.87     16
   5       H     0.14     1.91     7.40     -51.93      -0.38     1.52     16
   6       C    -0.16    -1.06     6.98     -89.30      -0.62    -1.69     16
   7       H     0.13     0.68     8.14     -51.93      -0.42     0.26     16
   8       C    -0.11    -0.61     6.86     -24.87      -0.17    -0.78     16
   9       C     0.11     0.77     7.07      -2.12      -0.01     0.75     16
  10       N    -0.59    -5.58     3.24    -163.92      -0.53    -6.11     16
  11       C     0.59     7.14     7.86     -12.21      -0.10     7.04     16
  12       O    -0.53    -7.53    16.60       5.35       0.09    -7.44     16
  13       C    -0.12    -1.53     5.88    -104.89      -0.62    -2.14     16
  14       C    -0.07    -0.85     8.86     -39.20      -0.35    -1.20     16
  15       C    -0.12    -1.82    10.08     -39.37      -0.40    -2.22     16
  16       C     0.28     4.83    10.27     -38.82      -0.40     4.44     16
  17       C    -0.09    -1.35     6.30    -104.37      -0.66    -2.01     16
  18       C    -0.04    -0.55     9.58     -39.23      -0.38    -0.93     16
  19       C     0.10     1.57     7.74      35.93       0.28     1.85     16
  20       O    -0.49   -10.43    15.05     -56.57      -0.85   -11.28     16
  21       O    -0.59   -13.67    18.54     -56.57      -1.05   -14.72     16
  22       C     0.01     0.10     4.15     -66.81      -0.28    -0.17     16
  23       H     0.14     0.92     7.22     -51.93      -0.37     0.54     16
  24       C    -0.04    -0.85     6.69     -83.92      -0.56    -1.41     16
  25       N    -0.51    -9.47    10.83      24.02       0.26    -9.21     16
  26       S     0.46     8.57    24.20    -107.50      -2.60     5.97     16
  27       N    -0.58   -14.73    12.18      28.50       0.35   -14.38     16
  28       C     0.38    10.44     8.19     -17.49      -0.14    10.29     16
  29       O    -0.60   -19.93    17.64     -37.39      -0.66   -20.59     16
  30       H     0.41     4.48     8.31     -40.82      -0.34     4.15     16
  31       H     0.09     0.34     8.14     -51.93      -0.42    -0.08     16
  32       H     0.08     0.56     8.14     -51.93      -0.42     0.14     16
  33       H     0.08     0.44     8.14     -51.93      -0.42     0.02     16
  34       H     0.09     0.69     7.90     -51.93      -0.41     0.28     16
  35       H     0.18     1.93     2.63     -53.46      -0.14     1.79     16
  36       H     0.17     2.49     8.06     -52.49      -0.42     2.07     16
  37       H     0.17     1.74     7.65     -52.49      -0.40     1.34     16
  38       H     0.06     0.82     8.14     -51.93      -0.42     0.40     16
  39       H     0.06     0.91     8.14     -51.93      -0.42     0.49     16
  40       H     0.34     6.75     9.30      45.56       0.42     7.17     16
 Total:         -1.00   -39.48   365.81                 -9.42   -48.90