REAL300009850745.mol2 42                                                        
   1       O    -0.68   -25.34    17.32     -20.23      -0.35   -25.69     16
   2       C     0.48    16.78     8.11      36.00       0.29    17.07     16
   3       O    -0.70   -26.67    18.00     -20.23      -0.36   -27.03     16
   4       C     0.04     1.07     5.76      -5.19      -0.03     1.04     16
   5       N    -0.57   -12.72     2.30    -176.33      -0.41   -13.12     16
   6       C     0.11     1.87     6.39      -4.49      -0.03     1.84     16
   7       C    -0.13    -1.44     6.02     -26.60      -0.16    -1.60     16
   8       C    -0.11    -1.34     5.32     -26.53      -0.14    -1.48     16
   9       C    -0.11    -1.73     2.38     -93.14      -0.22    -1.95     16
  10       C     0.55     8.99     6.45     -10.99      -0.07     8.92     16
  11       O    -0.49   -10.90    16.47      -6.11      -0.10   -11.00     16
  12       N    -0.62    -6.42     3.32    -170.38      -0.57    -6.99     16
  13       C     0.10     0.60     6.20      -3.06      -0.02     0.58     16
  14       C    -0.12    -0.59     6.41     -24.90      -0.16    -0.75     16
  15       C    -0.17    -0.83     2.86     -88.35      -0.25    -1.08     16
  16       C     0.39     1.34     8.93      37.16       0.33     1.67     16
  17       O    -0.73   -10.65    17.78     -57.73      -1.03   -11.68     16
  18       O    -0.71    -9.87    16.89     -57.73      -0.98   -10.84     16
  19       C     0.14     0.92     6.36      -2.41      -0.02     0.90     16
  20       C     0.53    11.91     6.63     -11.87      -0.08    11.83     16
  21       O    -0.54   -14.78    15.36      -6.12      -0.09   -14.87     16
  22       H     0.07     1.65     7.86     -51.93      -0.41     1.25     16
  23       H     0.08     2.25     7.20     -51.93      -0.37     1.88     16
  24       H     0.07     1.03     7.92     -51.93      -0.41     0.62     16
  25       H     0.07     1.37     8.14     -51.93      -0.42     0.94     16
  26       H     0.07     0.67     8.12     -51.93      -0.42     0.25     16
  27       H     0.09     0.72     8.14     -51.93      -0.42     0.30     16
  28       H     0.08     1.26     8.09     -51.93      -0.42     0.84     16
  29       H     0.08     0.61     8.14     -51.93      -0.42     0.18     16
  30       H     0.11     1.32     6.91     -51.93      -0.36     0.96     16
  31       H     0.08     0.50     7.63     -51.93      -0.40     0.11     16
  32       H     0.08     0.37     8.14     -51.93      -0.42    -0.05     16
  33       H     0.10     0.64     8.14     -51.93      -0.42     0.22     16
  34       H     0.09     0.28     8.02     -51.93      -0.42    -0.14     16
  35       H     0.14     0.94     7.89     -51.93      -0.41     0.54     16
  36       H     0.14     0.00     8.11     -51.93      -0.42    -0.42     16
  37       H     0.14    -0.02     8.14     -51.93      -0.42    -0.44     16
  38       H     0.33     4.22     8.90      45.56       0.41     4.63     16
  39       H     0.33     4.11     8.90      45.56       0.41     4.52     16
  40       H     0.08     0.32     8.04     -51.93      -0.42    -0.10     16
  41       H     0.10     0.81     8.09     -51.93      -0.42     0.39     16
 Total:         -1.00   -56.72   345.81                 -5.83   -62.55