REAL300013458587.mol2 36                                                        
   1       O    -0.73   -53.43    16.88      19.05       0.32   -53.11     16
   2       C     0.46    30.99     8.06      71.24       0.57    31.56     16
   3       O    -0.75   -57.01    18.00      19.03       0.34   -56.67     16
   4       C    -0.17    -8.16     5.78      29.85       0.17    -7.99     16
   5       C    -0.09    -3.39     4.50      30.59       0.14    -3.26     16
   6       C    -0.11    -2.69     5.21      30.59       0.16    -2.53     16
   7       C    -0.12    -2.29     5.33      30.60       0.16    -2.13     16
   8       C     0.14     2.33     5.67      86.38       0.49     2.82     16
   9       N    -0.72    -9.97     5.56    -478.54      -2.66   -12.63     16
  10       C     0.71    11.74     8.33     179.06       1.49    13.23     16
  11       O    -0.59   -12.64    13.49      -3.97      -0.05   -12.69     16
  12       N    -0.66    -9.18     5.36    -312.15      -1.67   -10.85     16
  13       C     0.22     3.08     6.64      40.07       0.27     3.35     16
  14       C    -0.15    -1.38     8.58      22.02       0.19    -1.19     16
  15       C     0.02     0.03     9.83      21.91       0.22     0.25     16
  16       C    -0.12    -0.49    10.27      23.94       0.25    -0.24     16
  17       C     0.20     2.97     7.36      44.12       0.32     3.29     16
  18       C     0.15     2.78     7.33      44.51       0.33     3.10     16
  19       N    -0.46   -11.47    18.95     -42.73      -0.81   -12.28     16
  20       N    -0.31    -6.34    19.05     -43.27      -0.82    -7.16     16
  21       H     0.08     3.46     8.14      -2.39      -0.02     3.44     16
  22       H     0.08     3.40     8.14      -2.39      -0.02     3.38     16
  23       H     0.04     1.83     8.10      -2.38      -0.02     1.81     16
  24       H     0.05     1.92     8.10      -2.39      -0.02     1.90     16
  25       H     0.08     1.75     8.14      -2.39      -0.02     1.73     16
  26       H     0.07     1.71     8.14      -2.39      -0.02     1.70     16
  27       H     0.07     1.36     8.14      -2.39      -0.02     1.34     16
  28       H     0.08     1.39     8.14      -2.39      -0.02     1.37     16
  29       H     0.07     1.23     8.14      -2.39      -0.02     1.21     16
  30       H     0.07     1.19     8.14      -2.38      -0.02     1.17     16
  31       H     0.41     3.82     8.49     -92.71      -0.79     3.03     16
  32       H     0.42     4.76     8.77     -92.71      -0.81     3.95     16
  33       H     0.17     1.92     5.60      -2.91      -0.02     1.90     16
  34       H     0.20    -1.33     8.06      -2.91      -0.02    -1.35     16
  35       H     0.20    -0.55     8.06      -2.92      -0.02    -0.57     16
 Total:         -1.00   -96.65   310.51                 -2.46   -99.11