REAL300013458612.mol2 42                                                        
   1       C    -0.14    -1.93     9.19      37.16       0.34    -1.59     16
   2       C    -0.10    -1.45     2.81     -90.62      -0.25    -1.71     16
   3       C    -0.14    -2.19     8.84      37.16       0.33    -1.87     16
   4       C    -0.11    -1.94     3.93     -26.74      -0.11    -2.05     16
   5       C    -0.08    -1.41     1.44     -90.62      -0.13    -1.54     16
   6       H     0.08     1.64     6.21     -51.92      -0.32     1.31     16
   7       C     0.13     2.03     4.95      -4.05      -0.02     2.01     16
   8       N    -0.72    -9.79     5.28     -65.23      -0.34   -10.13     16
   9       C     0.70     9.23     8.32     -86.92      -0.72     8.51     16
  10       O    -0.57    -8.42    13.53       5.29       0.07    -8.35     16
  11       N    -0.67    -7.36     5.36     -12.63      -0.07    -7.43     16
  12       C     0.24     2.55     6.63     -81.29      -0.54     2.01     16
  13       C    -0.16    -1.35     8.57     -39.96      -0.34    -1.69     16
  14       C    -0.01    -0.03     9.83     -40.14      -0.39    -0.42     16
  15       C    -0.13    -0.74    10.27     -37.01      -0.38    -1.12     16
  16       C     0.19     1.98     7.36     -79.58      -0.59     1.39     16
  17       C     0.14     1.70     7.33     -79.31      -0.58     1.12     16
  18       N    -0.37    -5.37    18.96      35.14       0.67    -4.71     16
  19       N    -0.29    -3.69    19.05      34.97       0.67    -3.02     16
  20       C    -0.18    -4.19     5.18     -27.89      -0.14    -4.34     16
  21       C     0.49    15.18     7.73      36.00       0.28    15.46     16
  22       O    -0.69   -22.30    14.99     -20.24      -0.30   -22.60     16
  23       O    -0.71   -25.07    18.00     -20.23      -0.36   -25.44     16
  24       H     0.05     0.78     8.14     -51.93      -0.42     0.36     16
  25       H     0.05     0.56     8.14     -51.93      -0.42     0.13     16
  26       H     0.05     0.62     8.14     -51.93      -0.42     0.20     16
  27       H     0.06     0.85     6.27     -51.93      -0.33     0.53     16
  28       H     0.04     0.54     8.14     -51.93      -0.42     0.12     16
  29       H     0.06     1.12     8.14     -51.93      -0.42     0.70     16
  30       H     0.05     0.85     6.74     -51.93      -0.35     0.50     16
  31       H     0.05     0.82     8.14     -51.93      -0.42     0.40     16
  32       H     0.10     2.26     6.02     -51.93      -0.31     1.95     16
  33       H     0.07     1.03     6.29     -51.93      -0.33     0.71     16
  34       H     0.06     1.00     8.14     -51.93      -0.42     0.58     16
  35       H     0.40     5.18     7.51     -40.82      -0.31     4.88     16
  36       H     0.42     4.10     8.78     -40.82      -0.36     3.74     16
  37       H     0.17     1.63     5.64     -52.49      -0.30     1.33     16
  38       H     0.15     0.26     8.06     -52.49      -0.42    -0.16     16
  39       H     0.16     0.48     8.06     -52.49      -0.42     0.06     16
  40       H     0.06     1.31     8.14     -51.93      -0.42     0.89     16
  41       H     0.05     1.11     6.92     -51.93      -0.36     0.75     16
 Total:         -1.00   -38.43   339.18                 -5.00   -43.44