REAL300013458605.mol2 40                                                        
   1       O    -0.70   -25.26    16.88     -20.23      -0.34   -25.61     16
   2       C     0.49    16.37     8.05      36.00       0.29    16.66     16
   3       O    -0.71   -26.44    18.00     -20.24      -0.36   -26.80     16
   4       C    -0.18    -4.53     5.53     -27.89      -0.15    -4.69     16
   5       C    -0.09    -1.79     3.97     -26.73      -0.11    -1.89     16
   6       C    -0.09    -1.29     2.15     -90.58      -0.19    -1.48     16
   7       C    -0.13    -1.58     5.36     -26.61      -0.14    -1.72     16
   8       C     0.13     1.30     6.44      -3.71      -0.02     1.27     16
   9       N    -0.61    -6.32     2.97    -178.24      -0.53    -6.85     16
  10       C     0.71     7.67     8.17     -86.93      -0.71     6.96     16
  11       O    -0.56    -6.94    12.65       5.29       0.07    -6.87     16
  12       N    -0.67    -6.19     5.15     -12.63      -0.07    -6.25     16
  13       C     0.23     2.10     6.65     -81.29      -0.54     1.56     16
  14       C    -0.16    -1.12     8.69     -39.97      -0.35    -1.47     16
  15       C    -0.01    -0.04     9.83     -40.14      -0.39    -0.44     16
  16       C    -0.12    -0.60    10.27     -37.01      -0.38    -0.98     16
  17       C     0.19     1.79     7.36     -79.59      -0.59     1.21     16
  18       C     0.14     1.54     7.33     -79.31      -0.58     0.95     16
  19       N    -0.37    -4.98    18.99      35.14       0.67    -4.32     16
  20       N    -0.29    -3.42    19.04      34.97       0.67    -2.76     16
  21       C     0.11     1.01     6.33      -3.48      -0.02     0.99     16
  22       C    -0.13    -1.70     5.16     -26.38      -0.14    -1.83     16
  23       H     0.05     1.27     8.14     -51.93      -0.42     0.84     16
  24       H     0.06     1.30     6.54     -51.93      -0.34     0.96     16
  25       H     0.06     1.31     8.10     -51.93      -0.42     0.89     16
  26       H     0.06     1.33     8.10     -51.93      -0.42     0.91     16
  27       H     0.07     0.93     8.14     -51.93      -0.42     0.51     16
  28       H     0.07     0.92     8.14     -51.93      -0.42     0.50     16
  29       H     0.08     0.92     8.14     -51.93      -0.42     0.50     16
  30       H     0.10     0.98     7.00     -51.93      -0.36     0.62     16
  31       H     0.07     0.61     8.14     -51.93      -0.42     0.19     16
  32       H     0.41     3.42     6.53     -40.82      -0.27     3.15     16
  33       H     0.18     1.45     5.29     -52.50      -0.28     1.17     16
  34       H     0.15     0.10     8.06     -52.49      -0.42    -0.32     16
  35       H     0.16     0.35     8.06     -52.49      -0.42    -0.08     16
  36       H     0.08     0.64     8.14     -51.93      -0.42     0.22     16
  37       H     0.07     0.60     5.86     -51.93      -0.30     0.30     16
  38       H     0.07     0.97     8.14     -51.93      -0.42     0.54     16
  39       H     0.08     1.16     6.50     -51.93      -0.34     0.82     16
 Total:         -1.00   -42.15   322.00                 -5.61   -47.76