REAL300019933833.mol2 36                                                        
   1       O    -0.52    -7.19    16.37       5.35       0.09    -7.10     16
   2       C     0.56     5.98     7.34     -12.21      -0.09     5.89     16
   3       C    -0.11    -0.86     5.15    -104.89      -0.54    -1.40     16
   4       C    -0.02    -0.15     9.62     -39.23      -0.38    -0.53     16
   5       C    -0.11    -0.78     9.74     -39.31      -0.38    -1.17     16
   6       C     0.34     3.07     9.79     -38.76      -0.38     2.69     16
   7       O    -0.67   -10.27    17.23     -57.73      -0.99   -11.27     16
   8       O    -0.67   -10.16    17.23     -57.73      -0.99   -11.16     16
   9       C    -0.11    -0.73     9.74     -39.30      -0.38    -1.12     16
  10       C    -0.05    -0.27     7.39     -39.23      -0.29    -0.56     16
  11       N    -0.60    -6.63     3.00    -173.20      -0.52    -7.15     16
  12       C     0.10     1.00     5.02      -3.36      -0.02     0.98     16
  13       C     0.05     0.81     5.56      -3.46      -0.02     0.79     16
  14       N    -0.43    -8.55     4.68    -174.47      -0.82    -9.36     16
  15       C     0.22     5.86     7.49    -321.25      -2.40     3.45     16
  16       N    -0.41   -11.59    11.50      29.97       0.34   -11.24     16
  17       N    -0.19    -5.72    13.45      60.35       0.81    -4.91     16
  18       N    -0.19    -5.72    13.45      60.35       0.81    -4.91     16
  19       N    -0.39   -11.04    12.18      29.97       0.37   -10.68     16
  20       C     0.06     1.00     5.06      -3.70      -0.02     0.98     16
  21       C     0.12     1.46     6.61      -3.60      -0.02     1.44     16
  22       H     0.18     0.91     8.06     -52.48      -0.42     0.49     16
  23       H     0.18     1.17     7.75     -52.49      -0.41     0.76     16
  24       H     0.33     4.18     8.90      45.56       0.41     4.59     16
  25       H     0.33     4.17     8.90      45.56       0.41     4.57     16
  26       H     0.18     1.08     7.75     -52.49      -0.41     0.67     16
  27       H     0.18     0.62     6.48     -52.49      -0.34     0.28     16
  28       H     0.09     0.77     8.05     -51.93      -0.42     0.35     16
  29       H     0.09     0.66     4.89     -51.93      -0.25     0.41     16
  30       H     0.04     0.64     8.14     -51.93      -0.42     0.22     16
  31       H     0.10     1.68     7.85     -51.93      -0.41     1.27     16
  32       H     0.04     0.83     8.14     -51.93      -0.42     0.40     16
  33       H     0.10     1.77     7.88     -51.93      -0.41     1.36     16
  34       H     0.10     1.22     7.04     -51.93      -0.37     0.86     16
  35       H     0.08     0.93     8.14     -51.93      -0.42     0.51     16
 Total:         -1.00   -39.85   305.58                 -5.11   -44.97