REAL300019713109.mol2 45                                                        
   1       O    -0.56   -16.36    13.42      -3.07      -0.04   -16.41     16
   2       C     0.51     9.80     7.67      87.65       0.67    10.47     16
   3       C    -0.12    -1.24     5.68      29.85       0.17    -1.07     16
   4       C    -0.07    -0.85     4.62      29.85       0.14    -0.71     16
   5       C    -0.08    -0.50     5.16     -19.70      -0.10    -0.60     16
   6       C    -0.06     0.29     9.69      22.27       0.22     0.51     16
   7       C    -0.06     0.58    10.04      22.34       0.22     0.80     16
   8       C    -0.07     0.34    10.04      22.24       0.22     0.56     16
   9       C    -0.08    -0.58     6.31     -19.69      -0.12    -0.71     16
  10       C     0.26     3.74     9.97      22.77       0.23     3.97     16
  11       O    -0.67   -23.69    17.75    -128.58      -2.28   -25.97     16
  12       O    -0.55   -17.02    15.05    -128.58      -1.94   -18.96     16
  13       C     0.07     1.16     7.74      71.18       0.55     1.71     16
  14       N    -0.66   -10.72     5.34    -303.40      -1.62   -12.34     16
  15       C     0.10     2.31     6.30      38.11       0.24     2.55     16
  16       C    -0.08    -1.70     9.96      22.38       0.22    -1.48     16
  17       C    -0.19    -5.12     9.03      22.35       0.20    -4.91     16
  18       C     0.10     3.68     6.69      22.50       0.15     3.83     16
  19       O    -0.34   -15.10    10.12     -93.22      -0.94   -16.04     16
  20       C     0.19     8.12     5.36      71.24       0.38     8.50     16
  21       C     0.05     2.82     7.99     138.59       1.11     3.93     16
  22       N    -0.39   -24.08    12.43     -51.29      -0.64   -24.71     16
  23       N    -0.21   -13.75    13.47      37.02       0.50   -13.25     16
  24       N    -0.21   -13.77    13.47      37.02       0.50   -13.27     16
  25       N    -0.39   -24.11    12.43     -51.29      -0.64   -24.75     16
  26       C    -0.16    -5.46     9.98      22.35       0.22    -5.23     16
  27       C    -0.09    -2.79     8.69      22.38       0.19    -2.59     16
  28       H     0.10     1.21     8.14      -2.39      -0.02     1.19     16
  29       H     0.15    -0.01     8.14      -2.39      -0.02    -0.03     16
  30       H     0.12     0.98     8.01      -2.39      -0.02     0.96     16
  31       H     0.06     1.29     7.30      -2.38      -0.02     1.27     16
  32       H     0.21    -2.43     8.06      -2.91      -0.02    -2.45     16
  33       H     0.21    -3.70     8.06      -2.91      -0.02    -3.73     16
  34       H     0.21    -2.49     8.06      -2.91      -0.02    -2.51     16
  35       H     0.34    11.22     9.30     -74.05      -0.69    10.53     16
  36       H     0.08     0.99     8.14      -2.39      -0.02     0.98     16
  37       H     0.08     0.96     8.14      -2.39      -0.02     0.94     16
  38       H     0.43     3.33     8.82     -92.71      -0.82     2.51     16
  39       H     0.17     1.93     8.06      -2.91      -0.02     1.91     16
  40       H     0.15     3.51     6.29      -2.91      -0.02     3.49     16
  41       H     0.10     3.56     7.66      -2.38      -0.02     3.55     16
  42       H     0.10     3.55     7.66      -2.39      -0.02     3.53     16
  43       H     0.12     4.31     8.06      -2.91      -0.02     4.28     16
  44       H     0.13     4.30     6.22      -2.91      -0.02     4.28     16
 Total:         -1.00  -111.51   388.51                 -3.99  -115.50