REAL300032632485.mol2 43                                                        
   1       O    -0.53   -10.63    15.42      -8.76      -0.14   -10.76     16
   2       C     0.52     8.24     7.71     -10.99      -0.08     8.16     16
   3       C    -0.16    -1.95     5.40     -27.88      -0.15    -2.10     16
   4       C     0.13     1.88     3.12     -27.97      -0.09     1.79     16
   5       O    -0.40    -7.90    13.93     -63.49      -0.88    -8.79     16
   6       O    -0.61   -12.31    18.54     -56.57      -1.05   -13.36     16
   7       C     0.24     2.86    10.28     -38.81      -0.40     2.47     16
   8       C    -0.12    -0.97    10.09     -39.33      -0.40    -1.37     16
   9       C    -0.09    -0.37    10.04     -39.58      -0.40    -0.77     16
  10       C    -0.11    -0.41    10.04     -39.48      -0.40    -0.81     16
  11       C    -0.10    -0.54    10.04     -39.63      -0.40    -0.94     16
  12       C    -0.08    -0.80     5.57    -104.36      -0.58    -1.38     16
  13       N    -0.72   -10.25     5.40     -60.30      -0.33   -10.58     16
  14       C     0.15     2.29     5.90      -4.04      -0.02     2.27     16
  15       C     0.08     1.21     2.16    -131.78      -0.28     0.93     16
  16       N    -0.70   -11.71     4.48     -48.61      -0.22   -11.93     16
  17       C     0.61    13.99     7.65     -12.48      -0.10    13.89     16
  18       O    -0.49   -13.18    15.10     -13.01      -0.20   -13.37     16
  19       C    -0.04    -0.92     6.69     -83.92      -0.56    -1.48     16
  20       N    -0.50   -10.60    10.84      24.02       0.26   -10.33     16
  21       S     0.43     8.79    24.20    -107.50      -2.60     6.19     16
  22       N    -0.59   -15.99    12.18      28.49       0.35   -15.65     16
  23       C     0.38    11.31     8.19     -17.49      -0.14    11.16     16
  24       O    -0.62   -21.83    17.64     -37.39      -0.66   -22.49     16
  25       C    -0.15    -2.02     9.22     -26.73      -0.25    -2.27     16
  26       C    -0.17    -1.83    10.11     -26.69      -0.27    -2.10     16
  27       H     0.10     0.74     8.14     -51.93      -0.42     0.31     16
  28       H     0.10     1.30     8.14     -51.93      -0.42     0.87     16
  29       H     0.09     1.24     7.95     -51.93      -0.41     0.83     16
  30       H     0.35     6.34     9.30      45.56       0.42     6.76     16
  31       H     0.16     1.10     8.06     -52.49      -0.42     0.67     16
  32       H     0.16     0.18     8.06     -52.48      -0.42    -0.25     16
  33       H     0.15     0.10     8.06     -52.49      -0.42    -0.32     16
  34       H     0.16     0.44     8.06     -52.49      -0.42     0.01     16
  35       H     0.40     4.81     7.65     -40.82      -0.31     4.50     16
  36       H     0.08     1.48     8.14     -51.93      -0.42     1.06     16
  37       H     0.07     0.96     7.91     -51.93      -0.41     0.55     16
  38       H     0.40     5.81     8.17     -40.82      -0.33     5.47     16
  39       H     0.10     1.30     8.14     -51.93      -0.42     0.88     16
  40       H     0.10     1.65     8.14     -51.93      -0.42     1.23     16
  41       H     0.10     0.88     8.06     -51.93      -0.42     0.46     16
  42       H     0.10     1.00     8.14     -51.93      -0.42     0.58     16
 Total:         -1.00   -44.30   390.02                 -9.79   -54.09