REAL300025567067.mol2 35                                                        
   1       O    -0.59   -26.38    15.44      10.02       0.15   -26.23     16
   2       C     0.50    15.40     7.71      87.66       0.68    16.07     16
   3       C    -0.14    -2.53     5.39      29.85       0.16    -2.36     16
   4       C     0.11     2.56     3.12      29.79       0.09     2.66     16
   5       O    -0.46   -18.65    13.97    -122.15      -1.71   -20.36     16
   6       O    -0.79   -36.66    18.54    -128.57      -2.38   -39.04     16
   7       C     0.26     4.51    10.27      22.77       0.23     4.75     16
   8       C    -0.12    -0.65    10.09      22.43       0.23    -0.43     16
   9       C    -0.05     0.29    10.04      22.27       0.22     0.52     16
  10       C    -0.07     0.62    10.04      22.34       0.22     0.85     16
  11       C    -0.06     0.19    10.04      22.24       0.22     0.41     16
  12       C    -0.07    -0.81     5.56     -19.69      -0.11    -0.92     16
  13       N    -0.71   -18.62     5.56    -463.07      -2.57   -21.19     16
  14       C     0.15     5.46     5.17      86.38       0.45     5.91     16
  15       C    -0.01    -0.39     5.96      29.84       0.18    -0.22     16
  16       C     0.19     9.74     7.90     138.20       1.09    10.83     16
  17       N    -0.65   -40.11    10.87    -431.17      -4.69   -44.80     16
  18       C     0.45    30.35     9.62     130.00       1.25    31.60     16
  19       O    -0.63   -45.80    18.07      18.12       0.33   -45.47     16
  20       O    -0.08    -4.97    11.35      93.22       1.06    -3.91     16
  21       N    -0.49   -27.11    12.33     -53.61      -0.66   -27.77     16
  22       H     0.16     0.71     8.14      -2.39      -0.02     0.70     16
  23       H     0.11     1.78     8.14      -2.39      -0.02     1.76     16
  24       H     0.10     2.58     7.93      -2.39      -0.02     2.56     16
  25       H     0.32    14.83     9.30     -74.06      -0.69    14.14     16
  26       H     0.18     0.94     8.06      -2.91      -0.02     0.92     16
  27       H     0.22    -3.19     8.06      -2.91      -0.02    -3.22     16
  28       H     0.21    -3.84     8.06      -2.91      -0.02    -3.87     16
  29       H     0.21    -2.19     8.06      -2.91      -0.02    -2.22     16
  30       H     0.42     6.43     8.47     -92.71      -0.79     5.64     16
  31       H     0.05     2.10     8.14      -2.39      -0.02     2.08     16
  32       H     0.04     1.63     8.14      -2.38      -0.02     1.61     16
  33       H     0.11     3.26     8.14      -2.39      -0.02     3.24     16
  34       H     0.12     3.29     8.14      -2.38      -0.02     3.27     16
 Total:         -1.00  -125.21   313.82                 -7.26  -132.47