REAL300013458581.mol2 36                                                        
   1       C    -0.16    -4.14     8.05      71.98       0.58    -3.57     16
   2       C     0.20     5.55     0.83       3.61       0.00     5.55     16
   3       C    -0.16    -4.49     8.05      71.98       0.58    -3.91     16
   4       C    -0.08    -3.14     3.67      30.60       0.11    -3.03     16
   5       C    -0.16    -7.33     5.07      29.85       0.15    -7.18     16
   6       C     0.46    30.16     8.05      71.24       0.57    30.73     16
   7       O    -0.73   -51.67    16.88      19.05       0.32   -51.35     16
   8       O    -0.75   -55.28    18.00      19.08       0.34   -54.93     16
   9       N    -0.72   -16.45     5.11    -438.01      -2.24   -18.69     16
  10       C     0.71    15.43     7.75     179.06       1.39    16.81     16
  11       O    -0.57   -13.71     9.70      -3.97      -0.04   -13.74     16
  12       N    -0.66   -12.13     5.36    -312.15      -1.67   -13.80     16
  13       C     0.22     3.76     6.64      40.07       0.27     4.02     16
  14       C    -0.14    -1.71     8.58      22.02       0.19    -1.52     16
  15       C     0.02     0.07     9.83      21.91       0.22     0.29     16
  16       C    -0.12    -0.73    10.27      23.94       0.25    -0.48     16
  17       C     0.20     3.42     7.36      44.12       0.32     3.74     16
  18       C     0.15     3.22     7.33      44.51       0.33     3.55     16
  19       N    -0.46   -12.89    18.95     -42.73      -0.81   -13.70     16
  20       N    -0.31    -7.09    19.05     -43.27      -0.82    -7.91     16
  21       H     0.08     2.07     6.16      -2.39      -0.01     2.06     16
  22       H     0.07     1.81     6.43      -2.39      -0.02     1.80     16
  23       H     0.06     1.44     8.14      -2.39      -0.02     1.42     16
  24       H     0.05     1.39     8.14      -2.39      -0.02     1.37     16
  25       H     0.07     1.95     6.43      -2.38      -0.02     1.93     16
  26       H     0.08     2.19     6.16      -2.39      -0.01     2.17     16
  27       H     0.05     2.17     8.10      -2.39      -0.02     2.15     16
  28       H     0.06     2.33     8.10      -2.39      -0.02     2.31     16
  29       H     0.08     3.58     6.43      -2.39      -0.02     3.56     16
  30       H     0.08     3.48     6.43      -2.39      -0.02     3.46     16
  31       H     0.41     8.11     8.49     -92.71      -0.79     7.32     16
  32       H     0.42     6.92     8.77     -92.71      -0.81     6.11     16
  33       H     0.17     2.31     5.60      -2.91      -0.02     2.30     16
  34       H     0.20    -0.97     8.06      -2.91      -0.02    -0.99     16
  35       H     0.20    -0.19     8.06      -2.92      -0.02    -0.21     16
 Total:         -1.00   -90.55   294.04                 -1.80   -92.35