REAL300031996083.mol2 43                                                        
   1       O    -0.52    -9.55    15.12      -8.77      -0.13    -9.69     16
   2       C     0.52     6.81     7.71     -10.99      -0.08     6.72     16
   3       C    -0.16    -1.51     5.39     -27.89      -0.15    -1.66     16
   4       C     0.14     1.68     3.12     -27.97      -0.09     1.59     16
   5       O    -0.41    -7.58    13.93     -63.49      -0.88    -8.46     16
   6       O    -0.62   -12.08    18.54     -56.57      -1.05   -13.13     16
   7       C     0.24     2.58    10.28     -38.81      -0.40     2.18     16
   8       C    -0.13    -0.84    10.09     -39.33      -0.40    -1.24     16
   9       C    -0.09    -0.28    10.04     -39.58      -0.40    -0.68     16
  10       C    -0.11    -0.30    10.04     -39.47      -0.40    -0.69     16
  11       C    -0.10    -0.43    10.04     -39.63      -0.40    -0.82     16
  12       C    -0.08    -0.71     5.57    -104.35      -0.58    -1.29     16
  13       N    -0.72    -7.54     5.21     -51.73      -0.27    -7.81     16
  14       C     0.13     1.70     3.37     -65.78      -0.22     1.48     16
  15       C    -0.14    -1.38     6.59     -24.89      -0.16    -1.54     16
  16       C     0.12     1.75     5.46      -3.06      -0.02     1.74     16
  17       N    -0.61   -11.72     3.33    -171.71      -0.57   -12.29     16
  18       C     0.61    15.27     7.84     -12.48      -0.10    15.17     16
  19       O    -0.50   -14.40    15.98     -13.00      -0.21   -14.61     16
  20       C    -0.03    -0.65     6.62     -83.92      -0.56    -1.20     16
  21       N    -0.50   -10.49     8.35      24.02       0.20   -10.29     16
  22       S     0.44     8.80    24.20    -107.50      -2.60     6.20     16
  23       N    -0.58   -15.60    12.18      28.49       0.35   -15.25     16
  24       C     0.38    11.20     8.19     -17.49      -0.14    11.06     16
  25       O    -0.61   -21.24    17.64     -37.38      -0.66   -21.90     16
  26       C     0.10     1.69     6.60      -2.51      -0.02     1.67     16
  27       H     0.09     0.50     8.14     -51.93      -0.42     0.07     16
  28       H     0.10     0.92     8.14     -51.93      -0.42     0.50     16
  29       H     0.09     1.13     7.95     -51.93      -0.41     0.71     16
  30       H     0.34     6.06     9.30      45.56       0.42     6.48     16
  31       H     0.16     0.94     8.06     -52.49      -0.42     0.51     16
  32       H     0.16     0.03     8.06     -52.49      -0.42    -0.39     16
  33       H     0.15    -0.04     8.06     -52.48      -0.42    -0.46     16
  34       H     0.16     0.25     8.06     -52.49      -0.42    -0.18     16
  35       H     0.40     2.68     8.54     -40.82      -0.35     2.34     16
  36       H     0.11     1.53     7.63     -51.93      -0.40     1.13     16
  37       H     0.09     0.70     8.14     -51.93      -0.42     0.28     16
  38       H     0.08     0.63     8.00     -51.93      -0.42     0.22     16
  39       H     0.08     1.15     7.51     -51.93      -0.39     0.76     16
  40       H     0.08     1.10     7.64     -51.93      -0.40     0.70     16
  41       H     0.07     1.06     8.14     -51.93      -0.42     0.64     16
  42       H     0.08     1.68     8.04     -51.92      -0.42     1.27     16
 Total:         -1.00   -44.51   380.83                 -9.93   -54.44