REAL300020252481.mol2 36                                                        
   1       O    -0.51    -7.68    13.66       5.55       0.08    -7.60     16
   2       C     0.52     6.31     7.55     -10.99      -0.08     6.23     16
   3       C    -0.13    -1.83     5.68     -27.88      -0.16    -1.99     16
   4       C     0.02     0.32     5.13     -27.88      -0.14     0.18     16
   5       C     0.05     1.28     7.62    -156.73      -1.19     0.09     16
   6       N    -0.39   -11.20    12.43      32.43       0.40   -10.80     16
   7       N    -0.20    -6.10    13.47      60.35       0.81    -5.28     16
   8       N    -0.20    -6.10    13.47      60.35       0.81    -5.29     16
   9       N    -0.39   -11.22    12.43      32.43       0.40   -10.82     16
  10       N    -0.68    -5.53     5.32      -9.89      -0.05    -5.58     16
  11       C     0.19     1.53     6.25     -83.76      -0.52     1.01     16
  12       C    -0.15    -0.84     9.69     -38.95      -0.38    -1.21     16
  13       C    -0.03    -0.17     5.74    -106.77      -0.61    -0.78     16
  14       C    -0.06    -0.24     9.73     -39.53      -0.38    -0.62     16
  15       C    -0.11    -0.71     9.65     -39.64      -0.38    -1.09     16
  16       C     0.32     2.99     9.78     -38.67      -0.38     2.61     16
  17       O    -0.68   -10.83    17.19     -57.73      -0.99   -11.82     16
  18       O    -0.68   -10.66    17.20     -57.73      -0.99   -11.65     16
  19       C    -0.08    -0.60     9.49     -38.78      -0.37    -0.96     16
  20       C    -0.04    -0.27     5.74    -106.82      -0.61    -0.89     16
  21       C    -0.07    -0.50     9.74     -39.48      -0.38    -0.89     16
  22       C    -0.10    -0.84     8.54     -39.76      -0.34    -1.18     16
  23       H     0.10     1.39     8.14     -51.93      -0.42     0.96     16
  24       H     0.10     1.37     8.14     -51.92      -0.42     0.95     16
  25       H     0.08     1.46     8.10     -51.93      -0.42     1.04     16
  26       H     0.07     1.44     8.10     -51.93      -0.42     1.02     16
  27       H     0.42     2.09     8.81     -40.82      -0.36     1.73     16
  28       H     0.14     0.42     8.06     -52.49      -0.42     0.00     16
  29       H     0.17     0.13     8.06     -52.49      -0.42    -0.30     16
  30       H     0.17     1.02     7.73     -52.48      -0.41     0.62     16
  31       H     0.33     4.35     8.90      45.56       0.41     4.76     16
  32       H     0.33     4.28     8.90      45.56       0.41     4.69     16
  33       H     0.18     1.29     7.73     -52.49      -0.41     0.89     16
  34       H     0.15     0.71     8.06     -52.49      -0.42     0.29     16
  35       H     0.15     1.50     6.40     -52.48      -0.34     1.17     16
 Total:         -1.00   -41.41   320.64                 -4.29   -45.71