REAL300020197903.mol2 38                                                        
   1       O    -0.59   -26.81    15.71       9.26       0.15   -26.67     16
   2       C     0.52    17.39     7.74      87.66       0.68    18.07     16
   3       C    -0.14    -2.77     4.58      29.85       0.14    -2.63     16
   4       C     0.11     2.72     3.11      29.79       0.09     2.82     16
   5       O    -0.46   -19.05    14.02    -122.38      -1.72   -20.76     16
   6       O    -0.79   -36.52    18.54    -128.58      -2.38   -38.91     16
   7       C     0.26     4.62    10.28      22.77       0.23     4.85     16
   8       C    -0.12    -0.67    10.09      22.43       0.23    -0.44     16
   9       C    -0.04     0.28    10.04      22.27       0.22     0.50     16
  10       C    -0.07     0.60    10.04      22.34       0.22     0.82     16
  11       C    -0.06     0.17    10.03      22.24       0.22     0.39     16
  12       C    -0.08    -0.86     5.56     -19.69      -0.11    -0.96     16
  13       N    -0.62   -19.74     3.33    -811.78      -2.70   -22.44     16
  14       C     0.11     2.32     6.47      86.73       0.56     2.88     16
  15       C    -0.11    -3.39     6.44      31.92       0.21    -3.18     16
  16       C     0.02     0.63     3.58     -10.00      -0.04     0.59     16
  17       C     0.08     4.18     7.02     138.59       0.97     5.16     16
  18       N    -0.40   -24.33    12.18     -51.29      -0.62   -24.95     16
  19       N    -0.22   -14.45    13.47      37.02       0.50   -13.95     16
  20       N    -0.22   -14.30    13.47      37.02       0.50   -13.80     16
  21       N    -0.41   -24.94    12.43     -51.29      -0.64   -25.58     16
  22       C     0.13     5.27     6.36      86.86       0.55     5.82     16
  23       H     0.11     2.06     8.14      -2.39      -0.02     2.04     16
  24       H     0.16     1.09     8.14      -2.39      -0.02     1.07     16
  25       H     0.11     2.64     7.91      -2.39      -0.02     2.63     16
  26       H     0.32    14.82     9.30     -74.05      -0.69    14.13     16
  27       H     0.18     0.95     8.06      -2.91      -0.02     0.93     16
  28       H     0.22    -3.19     8.06      -2.91      -0.02    -3.21     16
  29       H     0.21    -3.82     8.06      -2.91      -0.02    -3.85     16
  30       H     0.21    -2.10     8.06      -2.91      -0.02    -2.13     16
  31       H     0.12     1.41     8.14      -2.39      -0.02     1.39     16
  32       H     0.09     1.62     8.14      -2.39      -0.02     1.60     16
  33       H     0.11     2.66     8.14      -2.39      -0.02     2.64     16
  34       H     0.06     2.16     7.85      -2.39      -0.02     2.14     16
  35       H     0.11     3.96     8.14      -2.39      -0.02     3.94     16
  36       H     0.04     1.86     8.01      -2.39      -0.02     1.84     16
  37       H     0.06     2.52     8.04      -2.39      -0.02     2.50     16
 Total:         -1.00  -120.99   326.68                 -3.71  -124.69