REAL300032991837.mol2 43                                                        
   1       C    -0.15    -1.91     9.59      37.16       0.36    -1.56     16
   2       C     0.12     1.50     5.70      -4.04      -0.02     1.48     16
   3       N    -0.60    -8.78     2.73    -169.15      -0.46    -9.25     16
   4       C     0.60    12.68     7.16     -12.48      -0.09    12.59     16
   5       O    -0.49   -11.22     9.48     -12.80      -0.12   -11.34     16
   6       C    -0.05    -1.30     6.38     -83.92      -0.54    -1.83     16
   7       N    -0.48    -9.89     5.57      24.02       0.13    -9.76     16
   8       S     0.38     7.93    24.20    -107.50      -2.60     5.32     16
   9       N    -0.60   -16.52    12.18      28.50       0.35   -16.18     16
  10       C     0.38    11.38     8.18     -17.49      -0.14    11.24     16
  11       O    -0.65   -22.63    17.66     -37.16      -0.66   -23.28     16
  12       C     0.12     1.23     4.72     -70.16      -0.33     0.90     16
  13       C     0.08     0.79     5.15      -2.98      -0.02     0.77     16
  14       N    -0.61    -8.65     2.03    -179.60      -0.36    -9.01     16
  15       C     0.62    10.92     5.83     -12.22      -0.07    10.85     16
  16       O    -0.54   -11.41    17.09       5.35       0.09   -11.32     16
  17       C    -0.08    -1.23     5.68    -104.88      -0.60    -1.82     16
  18       C    -0.06    -0.72     9.07     -39.20      -0.36    -1.08     16
  19       C    -0.13    -1.59    10.08     -39.37      -0.40    -1.99     16
  20       C     0.28     4.34    10.27     -38.82      -0.40     3.94     16
  21       C    -0.08    -1.25     6.30    -104.38      -0.66    -1.91     16
  22       C    -0.04    -0.55     9.58     -39.23      -0.38    -0.92     16
  23       C     0.09     1.43     7.74      35.93       0.28     1.71     16
  24       O    -0.45    -8.91    15.05     -56.57      -0.85    -9.76     16
  25       O    -0.59   -11.44    18.54     -56.57      -1.05   -12.49     16
  26       C     0.09     1.08     8.32      -2.98      -0.02     1.06     16
  27       H     0.06     0.63     8.14     -51.93      -0.42     0.20     16
  28       H     0.04     0.46     8.14     -51.93      -0.42     0.04     16
  29       H     0.07     1.10     6.33     -51.93      -0.33     0.77     16
  30       H     0.10     1.48     5.74     -51.93      -0.30     1.18     16
  31       H     0.06     0.57     7.90     -51.93      -0.41     0.16     16
  32       H     0.12     0.66     7.93     -51.93      -0.41     0.25     16
  33       H     0.10     0.51     8.06     -51.93      -0.42     0.09     16
  34       H     0.10     1.15     6.02     -51.93      -0.31     0.84     16
  35       H     0.17     1.60     4.07     -52.49      -0.21     1.38     16
  36       H     0.17     1.62     8.06     -52.49      -0.42     1.20     16
  37       H     0.17     2.60     7.66     -52.49      -0.40     2.20     16
  38       H     0.08     1.18     8.14     -51.93      -0.42     0.76     16
  39       H     0.07     0.93     8.14     -51.93      -0.42     0.51     16
  40       H     0.35     5.58     9.30      45.56       0.42     6.00     16
  41       H     0.08     1.22     8.14     -51.93      -0.42     0.79     16
  42       H     0.09     0.73     8.14     -51.93      -0.42     0.30     16
 Total:         -1.00   -42.72   364.19                 -8.76   -51.48