REAL300031698134.mol2 43                                                        
   1       O    -0.49   -12.05    15.16     -12.87      -0.20   -12.25     16
   2       C     0.60    12.31     7.64     -12.48      -0.10    12.22     16
   3       C    -0.02    -0.33     6.43     -83.92      -0.54    -0.87     16
   4       N    -0.51    -9.19     5.71      24.03       0.14    -9.05     16
   5       S     0.51     9.33    24.20    -107.50      -2.60     6.73     16
   6       N    -0.57   -13.73    12.18      28.49       0.35   -13.38     16
   7       C     0.37     9.77     8.18     -17.49      -0.14     9.62     16
   8       O    -0.58   -17.95    17.65     -37.23      -0.66   -18.60     16
   9       N    -0.60    -8.99     2.47    -178.21      -0.44    -9.43     16
  10       C     0.12     1.42     5.73      -5.92      -0.03     1.39     16
  11       C    -0.16    -1.76     5.62     -29.13      -0.16    -1.93     16
  12       C     0.12     1.24     5.29      -5.24      -0.03     1.21     16
  13       N    -0.60    -7.36     2.50    -173.85      -0.44    -7.79     16
  14       C     0.57     8.12     7.06     -12.32      -0.09     8.03     16
  15       O    -0.52    -8.60    16.24       5.32       0.09    -8.51     16
  16       C    -0.10    -1.44     5.14    -104.97      -0.54    -1.98     16
  17       C    -0.05    -0.67     9.60     -39.09      -0.38    -1.04     16
  18       C    -0.11    -1.26    10.02     -39.68      -0.40    -1.65     16
  19       C    -0.06    -0.90     6.31    -104.21      -0.66    -1.55     16
  20       C     0.24     3.94    10.26     -38.85      -0.40     3.54     16
  21       C    -0.10    -1.42     7.50     -38.93      -0.29    -1.71     16
  22       O    -0.65   -13.98    18.54     -56.57      -1.05   -15.03     16
  23       O    -0.49   -10.30    15.05     -56.57      -0.85   -11.15     16
  24       C     0.10     1.51     7.74      35.94       0.28     1.79     16
  25       C     0.08     0.95     4.66      -2.01      -0.01     0.94     16
  26       C     0.10     1.25     4.72      -4.84      -0.02     1.23     16
  27       H     0.07     0.64     8.06     -51.93      -0.42     0.22     16
  28       H     0.09     1.30     7.08     -51.93      -0.37     0.93     16
  29       H     0.08     0.74     8.14     -51.93      -0.42     0.32     16
  30       H     0.07     1.12     7.75     -51.93      -0.40     0.71     16
  31       H     0.08     0.62     7.58     -51.93      -0.39     0.23     16
  32       H     0.09     0.89     7.50     -51.93      -0.39     0.50     16
  33       H     0.15     1.76     8.00     -52.48      -0.42     1.34     16
  34       H     0.16     1.32     8.06     -52.49      -0.42     0.90     16
  35       H     0.17     2.08     5.61     -52.49      -0.29     1.79     16
  36       H     0.33     6.30     9.30      45.56       0.42     6.72     16
  37       H     0.06     0.79     8.14     -51.93      -0.42     0.37     16
  38       H     0.06     0.90     8.14     -51.93      -0.42     0.48     16
  39       H     0.08     0.78     7.26     -51.93      -0.38     0.41     16
  40       H     0.10     1.49     3.55     -51.93      -0.18     1.30     16
  41       H     0.12     1.59     5.41     -51.93      -0.28     1.31     16
  42       H     0.07     0.65     7.73     -51.93      -0.40     0.25     16
 Total:         -1.00   -37.07   358.95                 -8.95   -46.03