REAL300031985192.mol2 39                                                        
   1       C    -0.16    -2.98     9.48      71.98       0.68    -2.30     16
   2       C     0.13     2.52     2.73      44.99       0.12     2.64     16
   3       C     0.12     1.62     5.23      86.38       0.45     2.08     16
   4       N    -0.70    -8.57     5.34    -465.97      -2.49   -11.06     16
   5       C     0.56     9.17     7.77      86.79       0.67     9.85     16
   6       O    -0.56   -14.18    16.35      -3.86      -0.06   -14.24     16
   7       C    -0.07    -0.86     5.87     -20.09      -0.12    -0.98     16
   8       C    -0.06    -0.09     9.54      22.59       0.22     0.13     16
   9       C    -0.02     0.07    10.02      22.21       0.22     0.29     16
  10       C    -0.08    -0.35     6.31     -19.60      -0.12    -0.47     16
  11       C     0.27     5.40    10.26      22.74       0.23     5.63     16
  12       C    -0.08    -1.57     9.64      22.70       0.22    -1.35     16
  13       O    -1.00   -56.12    18.54    -128.57      -2.38   -58.50     16
  14       O    -0.41   -10.53    15.05    -128.57      -1.93   -12.46     16
  15       C     0.08     0.21     7.74      71.20       0.55     0.76     16
  16       N    -0.70   -17.30     4.51    -445.72      -2.01   -19.31     16
  17       C     0.61    23.87     7.77      86.69       0.67    24.55     16
  18       O    -0.55   -26.57    15.38      13.46       0.21   -26.37     16
  19       C    -0.08    -3.53     6.69      41.98       0.28    -3.25     16
  20       N    -0.47   -16.61    10.83     -77.92      -0.84   -17.45     16
  21       S     0.51    17.89    24.20     -56.49      -1.37    16.53     16
  22       N    -0.65   -33.17    12.18    -177.24      -2.16   -35.33     16
  23       C     0.36    20.20     8.19      85.12       0.70    20.89     16
  24       O    -0.73   -51.01    17.64     -73.68      -1.30   -52.31     16
  25       H     0.07     1.18     8.14      -2.39      -0.02     1.16     16
  26       H     0.09     1.26     8.14      -2.38      -0.02     1.24     16
  27       H     0.04     1.03     8.14      -2.39      -0.02     1.01     16
  28       H     0.09     1.92     7.58      -2.39      -0.02     1.91     16
  29       H     0.09     1.18     8.14      -2.39      -0.02     1.16     16
  30       H     0.10     1.25     8.14      -2.38      -0.02     1.23     16
  31       H     0.41     3.70     6.17     -92.71      -0.57     3.13     16
  32       H     0.19    -0.55     6.39      -2.91      -0.02    -0.57     16
  33       H     0.24    -3.58     8.06      -2.91      -0.02    -3.60     16
  34       H     0.15     3.95     7.65      -2.91      -0.02     3.93     16
  35       H     0.28    15.11     9.30     -74.06      -0.69    14.42     16
  36       H     0.24    -1.73     8.14      -2.39      -0.02    -1.75     16
  37       H     0.25    -1.85     8.14      -2.39      -0.02    -1.87     16
  38       H     0.41     8.66     8.09     -92.71      -0.75     7.91     16
 Total:         -1.00  -130.97   357.51                -11.79  -142.76