REAL300019791618.mol2 38                                                        
   1       O    -0.53    -7.35    16.47       5.35       0.09    -7.26     16
   2       C     0.56     6.11     7.24     -12.22      -0.09     6.02     16
   3       C    -0.11    -0.87     5.01    -104.89      -0.53    -1.40     16
   4       C    -0.03    -0.18     9.72     -39.23      -0.38    -0.57     16
   5       C    -0.11    -0.82     9.74     -39.30      -0.38    -1.20     16
   6       C     0.34     3.23     9.79     -38.77      -0.38     2.85     16
   7       O    -0.67   -10.58    17.23     -57.73      -0.99   -11.57     16
   8       O    -0.67   -10.49    17.23     -57.73      -0.99   -11.48     16
   9       C    -0.11    -0.78     9.74     -39.30      -0.38    -1.16     16
  10       C    -0.05    -0.29     7.35     -39.23      -0.29    -0.58     16
  11       N    -0.59    -6.60     2.97    -173.52      -0.51    -7.11     16
  12       C     0.12     1.45     6.21      -3.48      -0.02     1.43     16
  13       C    -0.15    -2.31     5.08     -26.38      -0.13    -2.44     16
  14       C     0.25     4.52     0.94     -91.74      -0.09     4.44     16
  15       O    -0.56    -9.26    11.69     -35.23      -0.41    -9.67     16
  16       C     0.03     0.66     6.86    -156.72      -1.08    -0.42     16
  17       N    -0.38   -10.47    11.78      32.44       0.38   -10.08     16
  18       N    -0.19    -5.86    13.47      60.35       0.81    -5.05     16
  19       N    -0.19    -5.83    13.47      60.35       0.81    -5.01     16
  20       N    -0.38   -10.55    12.43      32.44       0.40   -10.14     16
  21       C    -0.10    -1.59     4.63     -26.61      -0.12    -1.71     16
  22       C     0.10     1.01     5.13      -3.71      -0.02     1.00     16
  23       H     0.17     0.96     8.06     -52.49      -0.42     0.53     16
  24       H     0.18     1.26     7.75     -52.49      -0.41     0.85     16
  25       H     0.33     4.33     8.90      45.56       0.41     4.73     16
  26       H     0.33     4.30     8.90      45.56       0.41     4.71     16
  27       H     0.18     1.16     7.75     -52.49      -0.41     0.75     16
  28       H     0.17     0.67     7.07     -52.49      -0.37     0.30     16
  29       H     0.08     0.89     7.81     -51.93      -0.41     0.48     16
  30       H     0.09     1.14     7.02     -51.93      -0.36     0.78     16
  31       H     0.07     1.23     8.14     -51.93      -0.42     0.81     16
  32       H     0.09     1.38     8.14     -51.93      -0.42     0.96     16
  33       H     0.38     5.78     9.04      45.56       0.41     6.20     16
  34       H     0.08     1.34     8.14     -51.93      -0.42     0.92     16
  35       H     0.09     1.50     8.14     -51.92      -0.42     1.08     16
  36       H     0.09     0.68     4.56     -51.93      -0.24     0.44     16
  37       H     0.09     0.86     7.81     -51.93      -0.41     0.46     16
 Total:         -1.00   -39.36   321.41                 -2.95   -42.31