REAL300020252482.mol2 43                                                        
   1       O    -0.54    -9.78    15.37       5.56       0.09    -9.69     16
   2       C     0.52     7.79     7.69     -10.98      -0.08     7.70     16
   3       C    -0.13    -2.14     4.02     -27.88      -0.11    -2.25     16
   4       C     0.02     0.36     5.13     -27.89      -0.14     0.21     16
   5       C     0.05     1.45     7.62    -156.72      -1.19     0.26     16
   6       N    -0.39   -11.74    12.43      32.44       0.40   -11.34     16
   7       N    -0.20    -6.35    13.47      60.35       0.81    -5.53     16
   8       N    -0.20    -6.35    13.47      60.35       0.81    -5.54     16
   9       N    -0.39   -11.75    12.43      32.44       0.40   -11.34     16
  10       N    -0.62    -6.38     2.95    -172.98      -0.51    -6.89     16
  11       C     0.11     0.81     6.17      -3.90      -0.02     0.79     16
  12       C    -0.12    -0.69     5.18     -26.92      -0.14    -0.83     16
  13       C    -0.07    -0.29     0.76    -154.34      -0.12    -0.41     16
  14       C    -0.12    -0.47     6.70     -26.09      -0.17    -0.65     16
  15       C    -0.17    -0.43     3.12     -89.74      -0.28    -0.71     16
  16       C     0.39     0.96     9.38      37.16       0.35     1.31     16
  17       O    -0.74   -11.28    17.78     -57.73      -1.03   -12.30     16
  18       O    -0.71    -9.79    17.00     -57.73      -0.98   -10.77     16
  19       C    -0.10    -0.10     6.41     -26.07      -0.17    -0.27     16
  20       C    -0.12    -0.61     5.25     -26.71      -0.14    -0.75     16
  21       C     0.11     0.86     6.30      -3.69      -0.02     0.84     16
  22       H     0.09     1.51     7.91     -51.93      -0.41     1.10     16
  23       H     0.09     1.53     7.71     -51.93      -0.40     1.13     16
  24       H     0.07     1.57     8.10     -51.93      -0.42     1.15     16
  25       H     0.07     1.57     8.10     -51.93      -0.42     1.15     16
  26       H     0.10     0.85     5.89     -51.93      -0.31     0.55     16
  27       H     0.07     0.40     7.41     -51.93      -0.38     0.01     16
  28       H     0.08     0.40     7.30     -51.93      -0.38     0.02     16
  29       H     0.08     0.62     8.14     -51.93      -0.42     0.19     16
  30       H     0.09     0.25     7.85     -51.93      -0.41    -0.15     16
  31       H     0.09     0.60     8.09     -51.93      -0.42     0.18     16
  32       H     0.14     0.58     7.60     -51.93      -0.39     0.18     16
  33       H     0.14    -0.10     8.14     -51.93      -0.42    -0.52     16
  34       H     0.14    -0.14     7.84     -51.93      -0.41    -0.55     16
  35       H     0.33     4.41     8.90      45.56       0.41     4.81     16
  36       H     0.33     4.19     8.90      45.56       0.41     4.59     16
  37       H     0.10     0.08     7.33     -51.93      -0.38    -0.30     16
  38       H     0.10    -0.12     8.03     -51.93      -0.42    -0.54     16
  39       H     0.08     0.23     8.12     -51.93      -0.42    -0.20     16
  40       H     0.08     0.54     8.14     -51.93      -0.42     0.12     16
  41       H     0.06     0.37     8.05     -51.93      -0.42    -0.04     16
  42       H     0.09     0.95     6.97     -51.93      -0.36     0.59     16
 Total:         -1.00   -45.64   343.18                 -3.89   -49.53