REAL300032628348.mol2 40                                                        
   1       O    -0.57   -21.41    16.35      -3.88      -0.06   -21.48     16
   2       C     0.56    16.14     7.77      86.79       0.67    16.81     16
   3       N    -0.68   -16.20     4.12    -465.96      -1.92   -18.12     16
   4       C     0.11     2.40     5.36      86.38       0.46     2.86     16
   5       C     0.12     1.93     4.07      41.79       0.17     2.10     16
   6       C    -0.12    -1.27     8.03      30.93       0.25    -1.02     16
   7       C     0.10     1.83     7.61      83.18       0.63     2.46     16
   8       N    -0.64   -17.19     3.57    -837.54      -2.99   -20.18     16
   9       C     0.63    25.66     7.96      86.69       0.69    26.35     16
  10       O    -0.54   -24.41    13.61      13.48       0.18   -24.23     16
  11       C    -0.08    -3.57     6.69      41.98       0.28    -3.29     16
  12       N    -0.46   -18.22     9.45     -77.91      -0.74   -18.96     16
  13       S     0.49    18.89    24.20     -56.49      -1.37    17.53     16
  14       N    -0.65   -35.11    12.18    -177.24      -2.16   -37.27     16
  15       C     0.36    21.01     8.19      85.12       0.70    21.71     16
  16       O    -0.73   -50.59    17.64     -73.77      -1.30   -51.89     16
  17       C    -0.08    -1.83     5.87     -20.09      -0.12    -1.95     16
  18       C    -0.05    -0.71     9.54      22.59       0.22    -0.49     16
  19       C    -0.02    -0.10    10.02      22.20       0.22     0.12     16
  20       C    -0.08    -1.03     6.31     -19.60      -0.12    -1.15     16
  21       C     0.27     7.76    10.26      22.74       0.23     7.99     16
  22       C    -0.09    -2.60     9.64      22.70       0.22    -2.38     16
  23       O    -1.00   -61.93    18.54    -128.57      -2.38   -64.31     16
  24       O    -0.41   -12.80    15.05    -128.57      -1.93   -14.74     16
  25       C     0.08     0.73     7.74      71.20       0.55     1.28     16
  26       H     0.41     8.43     5.38     -92.70      -0.50     7.93     16
  27       H     0.04     1.23     8.14      -2.38      -0.02     1.21     16
  28       H     0.11     1.78     8.14      -2.39      -0.02     1.76     16
  29       H     0.14     1.18     8.14      -2.39      -0.02     1.16     16
  30       H     0.09     1.16     8.12      -2.39      -0.02     1.14     16
  31       H     0.14     0.31     8.14      -2.39      -0.02     0.29     16
  32       H     0.11     1.39     8.14      -2.39      -0.02     1.37     16
  33       H     0.07     1.57     7.29      -2.39      -0.02     1.55     16
  34       H     0.19     1.81     6.39      -2.91      -0.02     1.79     16
  35       H     0.25    -1.68     8.06      -2.91      -0.02    -1.70     16
  36       H     0.15     5.42     7.65      -2.91      -0.02     5.40     16
  37       H     0.28    16.53     9.30     -74.06      -0.69    15.84     16
  38       H     0.24    -0.07     8.14      -2.39      -0.02    -0.09     16
  39       H     0.25    -0.82     8.14      -2.39      -0.02    -0.84     16
 Total:         -1.00  -134.39   358.95                -11.04  -145.43