REAL300009850834.mol2 38                                                        
   1       O    -0.72   -48.23    17.33      19.05       0.33   -47.90     16
   2       C     0.46    27.58     8.12      71.24       0.58    28.16     16
   3       O    -0.73   -49.45    18.00      19.04       0.34   -49.11     16
   4       C     0.04     1.58     5.87      85.63       0.50     2.09     16
   5       N    -0.46   -15.59     2.06    -653.78      -1.35   -16.94     16
   6       C     0.18     4.06    10.25      83.56       0.86     4.92     16
   7       C    -0.24    -3.93     9.99      21.99       0.22    -3.71     16
   8       C     0.08     1.68     9.81      22.83       0.22     1.90     16
   9       C    -0.33    -9.82     5.24     -19.79      -0.10    -9.93     16
  10       C     0.60    19.02     7.08      86.56       0.61    19.63     16
  11       O    -0.56   -21.12    16.43      -4.18      -0.07   -21.19     16
  12       N    -0.58   -14.69     2.97    -823.99      -2.44   -17.14     16
  13       C     0.08     1.75     4.37      86.22       0.38     2.12     16
  14       C    -0.10    -0.83     6.06      30.53       0.19    -0.65     16
  15       C    -0.16    -1.99     4.65      30.62       0.14    -1.85     16
  16       C     0.40     7.50     5.91      30.67       0.18     7.68     16
  17       O    -0.78   -30.60    17.67    -127.47      -2.25   -32.86     16
  18       O    -0.75   -26.58    16.79    -127.47      -2.14   -28.73     16
  19       C     0.06     1.51     6.28      86.36       0.54     2.05     16
  20       C     0.51    18.76     5.90      85.16       0.50    19.26     16
  21       O    -0.58   -24.52    12.29      -4.92      -0.06   -24.58     16
  22       H     0.11     4.20     7.39      -2.38      -0.02     4.18     16
  23       H     0.14     4.22     8.00      -2.39      -0.02     4.20     16
  24       H     0.20     3.03     8.02      -2.91      -0.02     3.01     16
  25       H     0.20     1.38     8.06      -2.91      -0.02     1.36     16
  26       H     0.17     2.57     8.06      -2.91      -0.02     2.55     16
  27       H     0.12     2.82     3.83      -9.66      -0.04     2.78     16
  28       H     0.07     1.81     7.80      -2.39      -0.02     1.79     16
  29       H     0.15     0.59     8.14      -2.39      -0.02     0.57     16
  30       H     0.11     0.40     8.14      -2.39      -0.02     0.38     16
  31       H     0.10     1.62     8.14      -2.39      -0.02     1.60     16
  32       H     0.13     1.35     8.13      -2.39      -0.02     1.33     16
  33       H     0.19     2.01     8.14      -2.38      -0.02     1.99     16
  34       H     0.32    11.54     8.90     -74.06      -0.66    10.88     16
  35       H     0.33    10.68     8.90     -74.06      -0.66    10.03     16
  36       H     0.10     2.52     8.14      -2.38      -0.02     2.50     16
  37       H     0.11     3.25     7.04      -2.39      -0.02     3.23     16
 Total:         -1.00  -109.95   317.91                 -4.44  -114.38