REAL300019692506.mol2 41                                                        
   1       O    -0.53    -8.90    15.44      -8.08      -0.12    -9.02     16
   2       C     0.52     6.39     7.71     -10.99      -0.08     6.30     16
   3       C    -0.16    -1.38     5.39     -27.88      -0.15    -1.53     16
   4       C     0.13     1.32     3.12     -27.97      -0.09     1.23     16
   5       O    -0.38    -5.74    13.97     -63.29      -0.88    -6.62     16
   6       O    -0.59    -8.81    18.54     -56.58      -1.05    -9.85     16
   7       C     0.24     1.94    10.27     -38.81      -0.40     1.54     16
   8       C    -0.12    -0.52    10.09     -39.33      -0.40    -0.92     16
   9       C    -0.08    -0.10    10.04     -39.59      -0.40    -0.50     16
  10       C    -0.10    -0.10    10.04     -39.47      -0.40    -0.50     16
  11       C    -0.09    -0.25    10.04     -39.63      -0.40    -0.64     16
  12       C    -0.08    -0.49     5.56    -104.36      -0.58    -1.07     16
  13       N    -0.73    -8.12     5.55     -61.47      -0.34    -8.46     16
  14       C     0.17     2.13     5.79      -5.19      -0.03     2.10     16
  15       C    -0.13    -1.91     5.25    -104.57      -0.55    -2.46     16
  16       C    -0.10    -1.56     9.68     -39.63      -0.38    -1.94     16
  17       C    -0.11    -2.06     9.70     -39.27      -0.38    -2.44     16
  18       C     0.06     1.31     5.88    -104.89      -0.62     0.69     16
  19       C     0.08     2.11     7.93    -156.43      -1.24     0.87     16
  20       N    -0.37   -11.04    12.15      32.14       0.39   -10.65     16
  21       N    -0.19    -5.98    13.45      60.35       0.81    -5.17     16
  22       N    -0.19    -5.99    13.46      60.35       0.81    -5.17     16
  23       N    -0.37   -11.07    12.15      32.14       0.39   -10.68     16
  24       C    -0.11    -2.04     9.70     -39.27      -0.38    -2.42     16
  25       C    -0.10    -1.52     9.68     -39.63      -0.38    -1.91     16
  26       H     0.10     0.49     8.14     -51.93      -0.42     0.06     16
  27       H     0.10     0.83     8.14     -51.93      -0.42     0.41     16
  28       H     0.10     1.04     7.93     -51.93      -0.41     0.63     16
  29       H     0.35     4.50     9.30      45.56       0.42     4.92     16
  30       H     0.16     0.52     8.06     -52.49      -0.42     0.09     16
  31       H     0.16    -0.27     8.06     -52.49      -0.42    -0.69     16
  32       H     0.15    -0.25     8.06     -52.49      -0.42    -0.67     16
  33       H     0.16     0.05     8.06     -52.49      -0.42    -0.37     16
  34       H     0.40     3.74     8.46     -40.82      -0.35     3.40     16
  35       H     0.07     0.91     8.08     -51.92      -0.42     0.49     16
  36       H     0.07     0.97     8.08     -51.93      -0.42     0.55     16
  37       H     0.12     1.59     8.06     -52.48      -0.42     1.17     16
  38       H     0.13     2.58     7.89     -52.48      -0.41     2.16     16
  39       H     0.13     2.52     7.88     -52.49      -0.41     2.11     16
  40       H     0.12     1.48     8.06     -52.49      -0.42     1.06     16
 Total:         -1.00   -41.67   362.86                 -6.76   -48.43