REAL300020005013.mol2 35                                                        
   1       O    -0.50    -6.67    14.02       5.33       0.07    -6.60     16
   2       C     0.55     5.18     7.51     -12.24      -0.09     5.09     16
   3       N    -0.66    -5.69     5.28     -10.64      -0.06    -5.75     16
   4       C     0.11     1.47     6.28     -83.69      -0.53     0.95     16
   5       C    -0.11    -1.81     8.64     -39.44      -0.34    -2.15     16
   6       C    -0.09    -1.66     9.69     -39.30      -0.38    -2.05     16
   7       C     0.04     0.95     5.88    -104.86      -0.62     0.33     16
   8       C     0.08     2.15     7.93    -156.42      -1.24     0.91     16
   9       N    -0.37   -10.99    12.15      32.14       0.39   -10.60     16
  10       N    -0.19    -5.94    13.45      60.35       0.81    -5.13     16
  11       N    -0.19    -5.93    13.45      60.35       0.81    -5.12     16
  12       N    -0.37   -10.92    12.15      32.14       0.39   -10.53     16
  13       C    -0.09    -1.57     9.69     -39.30      -0.38    -1.95     16
  14       C    -0.14    -1.87     9.95     -39.43      -0.39    -2.26     16
  15       C    -0.11    -0.65     5.88    -104.89      -0.62    -1.26     16
  16       C    -0.05    -0.16     9.53     -39.20      -0.37    -0.54     16
  17       C    -0.12    -0.51    10.08     -39.37      -0.40    -0.91     16
  18       C     0.27     2.03    10.27     -38.81      -0.40     1.64     16
  19       O    -0.56    -7.19    18.54     -56.58      -1.05    -8.24     16
  20       O    -0.44    -5.66    15.05     -56.58      -0.85    -6.52     16
  21       C     0.09     0.72     7.74      35.93       0.28     1.00     16
  22       C    -0.08    -0.54     6.30    -104.38      -0.66    -1.20     16
  23       C    -0.04    -0.23     9.58     -39.23      -0.38    -0.60     16
  24       H     0.41     1.78     6.85     -40.82      -0.28     1.50     16
  25       H     0.13     1.97     6.41     -52.49      -0.34     1.63     16
  26       H     0.13     2.66     7.88     -52.49      -0.41     2.24     16
  27       H     0.13     2.46     7.88     -52.49      -0.41     2.05     16
  28       H     0.12     1.21     8.06     -52.48      -0.42     0.79     16
  29       H     0.17    -0.03     6.40     -52.49      -0.34    -0.37     16
  30       H     0.17     0.38     8.06     -52.48      -0.42    -0.04     16
  31       H     0.35     3.50     9.30      45.56       0.42     3.92     16
  32       H     0.08     0.53     8.14     -51.93      -0.42     0.11     16
  33       H     0.08     0.53     8.14     -51.93      -0.42     0.11     16
  34       H     0.18     0.96     7.64     -52.49      -0.40     0.56     16
 Total:         -1.00   -39.56   313.77                 -4.71   -44.26