REAL300031123374.mol2 43                                                        
   1       C    -0.19    -1.16     7.80      37.16       0.29    -0.87     16
   2       C     0.10     0.74     2.46     -66.95      -0.16     0.58     16
   3       C     0.14     1.46     2.84     -66.10      -0.19     1.28     16
   4       N    -0.72    -9.42     5.17     -53.08      -0.27    -9.69     16
   5       C     0.61    12.03     7.81     -12.48      -0.10    11.94     16
   6       O    -0.50   -11.68    15.36     -13.00      -0.20   -11.88     16
   7       C    -0.04    -0.99     6.69     -83.92      -0.56    -1.56     16
   8       N    -0.50    -9.52    10.83      24.03       0.26    -9.26     16
   9       S     0.43     8.10    24.20    -107.50      -2.60     5.50     16
  10       N    -0.59   -15.00    12.18      28.50       0.35   -14.65     16
  11       C     0.38    10.51     8.19     -17.49      -0.14    10.37     16
  12       O    -0.63   -20.72    17.64     -37.36      -0.66   -21.38     16
  13       C    -0.15    -1.38     6.77     -24.58      -0.17    -1.54     16
  14       C     0.11     0.92     6.90      -2.52      -0.02     0.90     16
  15       N    -0.60    -5.12     3.07    -167.53      -0.51    -5.63     16
  16       C     0.58     5.92     7.62     -12.32      -0.09     5.83     16
  17       O    -0.52    -7.04    16.63       5.32       0.09    -6.95     16
  18       C    -0.10    -0.87     5.33    -104.97      -0.56    -1.43     16
  19       C    -0.10    -0.60     6.34     -39.10      -0.25    -0.85     16
  20       C    -0.11    -0.58    10.02     -39.68      -0.40    -0.98     16
  21       C    -0.05    -0.41     6.31    -104.21      -0.66    -1.07     16
  22       C     0.24     2.62    10.26     -38.85      -0.40     2.23     16
  23       C    -0.07    -0.63     9.63     -38.92      -0.38    -1.01     16
  24       O    -0.58    -9.70    18.54     -56.57      -1.05   -10.75     16
  25       O    -0.46    -7.23    15.05     -56.57      -0.85    -8.09     16
  26       C     0.09     0.88     7.74      35.94       0.28     1.16     16
  27       H     0.08     0.44     8.14     -51.93      -0.42     0.02     16
  28       H     0.08     0.44     4.53     -51.93      -0.24     0.20     16
  29       H     0.08     0.52     7.79     -51.93      -0.40     0.12     16
  30       H     0.10     0.54     5.74     -51.93      -0.30     0.25     16
  31       H     0.11     1.31     7.03     -51.93      -0.37     0.94     16
  32       H     0.40     4.49     7.86     -40.82      -0.32     4.17     16
  33       H     0.08     0.79     8.14     -51.93      -0.42     0.36     16
  34       H     0.10     1.00     8.14     -51.93      -0.42     0.58     16
  35       H     0.08     0.62     8.14     -51.93      -0.42     0.20     16
  36       H     0.09     0.76     8.05     -51.93      -0.42     0.34     16
  37       H     0.19     0.88     2.06     -57.11      -0.12     0.76     16
  38       H     0.17     0.36     8.06     -52.48      -0.42    -0.06     16
  39       H     0.18     1.76     7.67     -52.49      -0.40     1.36     16
  40       H     0.35     4.66     9.30      45.56       0.42     5.09     16
  41       H     0.07     0.59     8.14     -51.93      -0.42     0.17     16
  42       H     0.07     0.60     8.14     -51.93      -0.42     0.18     16
 Total:         -1.00   -39.09   368.32                 -8.50   -47.60