REAL300019847498.mol2 35                                                        
   1       O    -0.46   -10.86    12.88       5.35       0.07   -10.79     16
   2       C     0.55     9.59     7.19     -12.21      -0.09     9.50     16
   3       C    -0.10    -1.22     5.46    -104.89      -0.57    -1.79     16
   4       C    -0.06    -0.53     7.42     -39.23      -0.29    -0.82     16
   5       C    -0.11    -0.98     9.74     -39.30      -0.38    -1.37     16
   6       C     0.34     3.84     9.79     -38.76      -0.38     3.46     16
   7       O    -0.67   -11.52    17.23     -57.73      -0.99   -12.52     16
   8       O    -0.68   -11.30    17.23     -57.73      -0.99   -12.30     16
   9       C    -0.11    -1.10     9.73     -39.31      -0.38    -1.48     16
  10       C    -0.02    -0.25     9.59     -39.24      -0.38    -0.62     16
  11       N    -0.61    -9.47     3.02    -167.07      -0.50    -9.97     16
  12       C     0.05     0.44     5.75      -3.53      -0.02     0.42     16
  13       C     0.04     0.42     6.75      37.31       0.25     0.67     16
  14       O    -0.38    -5.08    10.74     -35.23      -0.38    -5.46     16
  15       C     0.06     1.00     6.27      37.31       0.23     1.23     16
  16       C     0.24     4.51     3.62     -68.57      -0.25     4.26     16
  17       C     0.07     1.78     4.40    -156.73      -0.69     1.09     16
  18       N    -0.37   -10.54    10.81      32.44       0.35   -10.19     16
  19       N    -0.19    -5.98    13.47      60.35       0.81    -5.17     16
  20       N    -0.20    -6.19    13.47      60.35       0.81    -5.38     16
  21       N    -0.38   -11.20    12.40      32.44       0.40   -10.80     16
  22       H     0.18     1.17     5.31     -52.48      -0.28     0.89     16
  23       H     0.18     1.35     7.75     -52.49      -0.41     0.94     16
  24       H     0.33     4.68     8.90      45.56       0.41     5.09     16
  25       H     0.33     4.59     8.90      45.56       0.41     5.00     16
  26       H     0.18     1.67     7.76     -52.48      -0.41     1.26     16
  27       H     0.18     1.87     7.99     -52.49      -0.42     1.45     16
  28       H     0.11     0.74     3.48     -51.93      -0.18     0.56     16
  29       H     0.08     0.74     8.14     -51.93      -0.42     0.32     16
  30       H     0.06     0.51     7.79     -51.93      -0.40     0.10     16
  31       H     0.11     0.65     8.14     -51.93      -0.42     0.23     16
  32       H     0.11     1.72     8.14     -51.93      -0.42     1.29     16
  33       H     0.07     1.21     8.07     -51.93      -0.42     0.79     16
  34       H     0.09     1.68     8.14     -51.93      -0.42     1.25     16
 Total:         -1.00   -42.09   295.48                 -2.31   -44.40