REAL300009850733.mol2 45                                                        
   1       O    -0.68   -25.10    17.32     -20.23      -0.35   -25.45     16
   2       C     0.48    16.57     8.11      36.01       0.29    16.87     16
   3       O    -0.70   -26.45    18.00     -20.23      -0.36   -26.82     16
   4       C     0.04     1.05     5.76      -5.20      -0.03     1.02     16
   5       N    -0.57   -12.21     2.30    -176.34      -0.41   -12.62     16
   6       C     0.11     1.78     6.39      -4.48      -0.03     1.75     16
   7       C    -0.13    -1.30     6.02     -26.59      -0.16    -1.46     16
   8       C    -0.11    -1.23     5.21     -26.52      -0.14    -1.37     16
   9       C    -0.12    -1.64     1.90     -93.15      -0.18    -1.81     16
  10       C     0.53     7.58     6.20     -10.98      -0.07     7.51     16
  11       O    -0.48    -9.93    15.68      -5.91      -0.09   -10.03     16
  12       N    -0.63    -4.99     2.24    -172.57      -0.39    -5.37     16
  13       C     0.09     0.30     5.62      -2.94      -0.02     0.28     16
  14       C    -0.13    -0.10     5.71     -27.30      -0.16    -0.26     16
  15       C    -0.17    -0.67     3.85     -28.01      -0.11    -0.78     16
  16       C     0.34     2.31     4.82     -29.79      -0.14     2.17     16
  17       O    -0.66   -11.69    17.78     -57.73      -1.03   -12.71     16
  18       O    -0.72   -13.21    17.50     -57.73      -1.01   -14.22     16
  19       C    -0.21    -1.60     5.73     -28.61      -0.16    -1.76     16
  20       C     0.15     1.01     5.34      -4.11      -0.02     0.99     16
  21       C     0.53    11.23     6.63     -11.87      -0.08    11.16     16
  22       O    -0.54   -14.11    15.36      -5.90      -0.09   -14.21     16
  23       H     0.08     2.19     7.21     -51.93      -0.37     1.81     16
  24       H     0.07     1.61     7.86     -51.93      -0.41     1.20     16
  25       H     0.07     0.99     7.92     -51.93      -0.41     0.58     16
  26       H     0.07     1.35     8.14     -51.93      -0.42     0.93     16
  27       H     0.07     0.58     8.12     -51.93      -0.42     0.16     16
  28       H     0.09     0.66     8.14     -51.93      -0.42     0.24     16
  29       H     0.08     0.47     7.48     -51.93      -0.39     0.08     16
  30       H     0.09     1.22     8.09     -51.93      -0.42     0.80     16
  31       H     0.12     1.06     6.25     -51.93      -0.32     0.74     16
  32       H     0.08     0.17     8.14     -51.93      -0.42    -0.25     16
  33       H     0.10     0.25     5.05     -51.93      -0.26    -0.01     16
  34       H     0.08    -0.05     7.32     -51.93      -0.38    -0.43     16
  35       H     0.11    -0.13     8.14     -51.93      -0.42    -0.55     16
  36       H     0.12     0.50     7.77     -51.93      -0.40     0.10     16
  37       H     0.10     0.51     7.36     -51.93      -0.38     0.12     16
  38       H     0.13     0.47     7.35     -51.93      -0.38     0.09     16
  39       H     0.34     5.74     9.20      45.56       0.42     6.16     16
  40       H     0.30     4.22     7.46      45.56       0.34     4.56     16
  41       H     0.11     1.21     8.14     -51.93      -0.42     0.78     16
  42       H     0.12     0.98     8.14     -51.93      -0.42     0.56     16
  43       H     0.09     0.24     8.06     -51.93      -0.42    -0.18     16
  44       H     0.13     1.15     7.38     -51.93      -0.38     0.77     16
 Total:         -1.00   -57.01   352.21                 -6.56   -63.56