REAL300032245386.mol2 41                                                        
   1       O    -0.50   -11.95    16.06     -13.01      -0.21   -12.16     16
   2       C     0.62    12.84     7.88     -12.49      -0.10    12.74     16
   3       C    -0.03    -0.71     6.64     -83.92      -0.56    -1.26     16
   4       N    -0.50    -9.59     8.60      24.02       0.21    -9.38     16
   5       S     0.45     8.46    24.20    -107.50      -2.60     5.86     16
   6       N    -0.58   -14.63    12.18      28.50       0.35   -14.28     16
   7       C     0.38    10.35     8.19     -17.49      -0.14    10.21     16
   8       O    -0.61   -19.71    17.64     -37.39      -0.66   -20.37     16
   9       N    -0.62    -8.99     2.95    -157.99      -0.47    -9.46     16
  10       C     0.11     1.34     4.87      -1.69      -0.01     1.33     16
  11       C     0.12     1.08     5.25     -62.58      -0.33     0.75     16
  12       H     0.14     1.13     8.03     -51.93      -0.42     0.71     16
  13       C    -0.15    -1.07     6.81     -22.28      -0.15    -1.22     16
  14       C     0.13     1.26     5.25     -62.53      -0.33     0.94     16
  15       H     0.14     1.36     8.05     -51.93      -0.42     0.94     16
  16       C     0.07     0.59     4.23      -1.67      -0.01     0.58     16
  17       N    -0.61    -5.76     2.96    -159.11      -0.47    -6.23     16
  18       C     0.58     6.20     7.86     -12.21      -0.10     6.10     16
  19       O    -0.53    -6.87    16.69       5.35       0.09    -6.78     16
  20       C    -0.12    -1.10     5.88    -104.89      -0.62    -1.71     16
  21       C    -0.03    -0.23     9.59     -39.20      -0.38    -0.61     16
  22       C    -0.13    -1.18    10.08     -39.37      -0.40    -1.57     16
  23       C     0.27     3.35    10.27     -38.82      -0.40     2.95     16
  24       C    -0.09    -0.94     6.30    -104.38      -0.66    -1.60     16
  25       C    -0.10    -0.92     8.77     -39.23      -0.34    -1.26     16
  26       C     0.09     1.19     7.74      35.93       0.28     1.47     16
  27       O    -0.47    -8.46    15.05     -56.57      -0.85    -9.31     16
  28       O    -0.62   -11.41    18.54     -56.57      -1.05   -12.46     16
  29       H     0.09     1.09     7.61     -51.92      -0.40     0.69     16
  30       H     0.08     1.10     7.79     -51.93      -0.40     0.70     16
  31       H     0.09     0.52     8.14     -51.93      -0.42     0.10     16
  32       H     0.10     0.73     8.14     -51.93      -0.42     0.30     16
  33       H     0.09     0.88     6.86     -51.93      -0.36     0.52     16
  34       H     0.09     0.51     6.89     -51.93      -0.36     0.15     16
  35       H     0.17     1.15     7.65     -52.49      -0.40     0.75     16
  36       H     0.17     1.20     8.06     -52.49      -0.42     0.78     16
  37       H     0.19     1.36     2.78     -54.21      -0.15     1.21     16
  38       H     0.07     0.84     8.14     -51.93      -0.42     0.42     16
  39       H     0.07     0.73     8.14     -51.93      -0.42     0.31     16
  40       H     0.34     5.36     9.30      45.56       0.42     5.79     16
 Total:         -1.00   -38.89   356.03                 -9.12   -48.01