REAL300032545847.mol2 39                                                        
   1       C    -0.16    -1.57     9.48      37.16       0.35    -1.21     16
   2       C     0.13     1.35     2.73     -67.93      -0.19     1.16     16
   3       H     0.10     1.12     7.58     -51.93      -0.39     0.73     16
   4       C     0.11     0.95     5.23      -4.04      -0.02     0.92     16
   5       N    -0.72    -6.18     5.34     -61.17      -0.33    -6.50     16
   6       C     0.56     5.58     7.78     -12.22      -0.10     5.49     16
   7       O    -0.53    -6.65    16.33       5.35       0.09    -6.57     16
   8       C    -0.12    -1.07     5.88    -104.89      -0.62    -1.69     16
   9       C    -0.05    -0.41     9.54     -39.20      -0.37    -0.79     16
  10       C    -0.13    -1.18    10.08     -39.37      -0.40    -1.58     16
  11       C     0.27     3.38    10.27     -38.82      -0.40     2.98     16
  12       C    -0.09    -0.95     6.30    -104.38      -0.66    -1.61     16
  13       C    -0.04    -0.39     9.58     -39.23      -0.38    -0.76     16
  14       C     0.10     1.19     7.74      35.93       0.28     1.47     16
  15       O    -0.48    -8.54    15.05     -56.57      -0.85    -9.39     16
  16       O    -0.61   -11.54    18.54     -56.57      -1.05   -12.58     16
  17       N    -0.73    -9.54     4.51     -54.86      -0.25    -9.78     16
  18       C     0.60    11.53     7.77     -12.48      -0.10    11.44     16
  19       O    -0.49   -11.32    15.38     -13.00      -0.20   -11.52     16
  20       C    -0.03    -0.70     6.69     -83.92      -0.56    -1.26     16
  21       N    -0.51    -9.22    10.83      24.02       0.26    -8.96     16
  22       S     0.47     8.35    24.20    -107.50      -2.60     5.75     16
  23       N    -0.58   -14.04    12.18      28.49       0.35   -13.69     16
  24       C     0.38     9.88     8.19     -17.49      -0.14     9.74     16
  25       O    -0.60   -18.85    17.64     -37.38      -0.66   -19.50     16
  26       H     0.07     0.90     8.14     -51.93      -0.42     0.47     16
  27       H     0.07     0.52     8.14     -51.93      -0.42     0.10     16
  28       H     0.06     0.54     8.14     -51.93      -0.42     0.12     16
  29       H     0.09     0.68     8.14     -51.93      -0.42     0.26     16
  30       H     0.08     0.66     8.14     -51.93      -0.42     0.24     16
  31       H     0.41     3.22     6.16     -40.82      -0.25     2.97     16
  32       H     0.16     0.93     6.39     -52.49      -0.34     0.59     16
  33       H     0.17     1.39     8.06     -52.49      -0.42     0.97     16
  34       H     0.17     1.29     7.64     -52.49      -0.40     0.89     16
  35       H     0.07     0.70     8.14     -51.93      -0.42     0.28     16
  36       H     0.06     0.69     8.14     -51.93      -0.42     0.27     16
  37       H     0.34     5.43     9.30      45.56       0.42     5.85     16
  38       H     0.41     4.82     8.09     -40.82      -0.33     4.49     16
 Total:         -1.00   -37.04   357.47                 -7.82   -44.86