REAL300019666882.mol2 41                                                        
   1       O    -0.52    -8.45    13.68       5.55       0.08    -8.37     16
   2       C     0.51     6.21     7.56     -10.99      -0.08     6.12     16
   3       C    -0.13    -1.02     5.68     -27.88      -0.16    -1.18     16
   4       C    -0.07    -0.55     4.62     -27.88      -0.13    -0.68     16
   5       C    -0.08    -0.47     5.16    -104.37      -0.54    -1.00     16
   6       C    -0.08    -0.22     9.68     -39.59      -0.38    -0.60     16
   7       C    -0.10    -0.13    10.04     -39.48      -0.40    -0.52     16
   8       C    -0.10    -0.25    10.04     -39.63      -0.40    -0.65     16
   9       C    -0.08    -0.47     6.31    -104.35      -0.66    -1.13     16
  10       C     0.26     2.15     9.97     -38.81      -0.39     1.77     16
  11       O    -0.54    -7.64    17.75     -56.57      -1.00    -8.65     16
  12       O    -0.46    -6.47    15.05     -56.57      -0.85    -7.32     16
  13       C     0.09     0.76     7.74      35.91       0.28     1.04     16
  14       N    -0.67    -7.86     5.33      -9.84      -0.05    -7.91     16
  15       C     0.12     1.90     6.28     -83.67      -0.53     1.38     16
  16       C    -0.12    -2.14     8.64     -39.44      -0.34    -2.48     16
  17       C    -0.09    -1.83     9.69     -39.30      -0.38    -2.21     16
  18       C     0.04     0.86     5.88    -104.87      -0.62     0.24     16
  19       C     0.08     2.37     7.93    -156.43      -1.24     1.13     16
  20       N    -0.37   -11.47    12.15      32.13       0.39   -11.08     16
  21       N    -0.19    -6.20    13.45      60.35       0.81    -5.39     16
  22       N    -0.19    -6.21    13.46      60.35       0.81    -5.39     16
  23       N    -0.37   -11.52    12.15      32.13       0.39   -11.13     16
  24       C    -0.09    -1.75     9.69     -39.30      -0.38    -2.13     16
  25       C    -0.14    -2.33     9.95     -39.44      -0.39    -2.72     16
  26       H     0.10     0.79     8.14     -51.93      -0.42     0.37     16
  27       H     0.10     0.43     8.14     -51.93      -0.42     0.01     16
  28       H     0.10     1.15     7.30     -51.93      -0.38     0.78     16
  29       H     0.10     0.67     8.01     -51.93      -0.42     0.25     16
  30       H     0.16     0.05     8.06     -52.49      -0.42    -0.38     16
  31       H     0.15    -0.24     8.06     -52.48      -0.42    -0.66     16
  32       H     0.16    -0.06     8.06     -52.49      -0.42    -0.49     16
  33       H     0.36     4.21     9.30      45.56       0.42     4.64     16
  34       H     0.07     0.47     8.14     -51.93      -0.42     0.05     16
  35       H     0.07     0.46     8.14     -51.93      -0.42     0.04     16
  36       H     0.41     3.21     8.82     -40.82      -0.36     2.85     16
  37       H     0.13     2.23     6.42     -52.48      -0.34     1.89     16
  38       H     0.13     2.85     7.88     -52.49      -0.41     2.43     16
  39       H     0.13     2.69     7.88     -52.48      -0.41     2.28     16
  40       H     0.12     1.55     8.06     -52.48      -0.42     1.12     16
 Total:         -1.00   -42.25   358.27                 -6.04   -48.28