REAL300019713108.mol2 42                                                        
   1       O    -0.51    -8.18    13.13      -8.09      -0.11    -8.29     16
   2       C     0.51     5.81     7.45     -10.99      -0.08     5.73     16
   3       C    -0.16    -1.09     5.39     -27.88      -0.15    -1.24     16
   4       C     0.13     1.18     3.12     -27.97      -0.09     1.09     16
   5       O    -0.38    -5.47    13.97     -63.29      -0.88    -6.36     16
   6       O    -0.58    -8.31    18.54     -56.58      -1.05    -9.36     16
   7       C     0.24     1.72    10.27     -38.81      -0.40     1.32     16
   8       C    -0.12    -0.41    10.09     -39.33      -0.40    -0.81     16
   9       C    -0.08    -0.03    10.04     -39.59      -0.40    -0.43     16
  10       C    -0.10     0.01    10.04     -39.48      -0.40    -0.39     16
  11       C    -0.09    -0.14    10.04     -39.63      -0.40    -0.54     16
  12       C    -0.08    -0.41     5.56    -104.36      -0.58    -0.99     16
  13       N    -0.67    -6.69     5.35      -9.83      -0.05    -6.74     16
  14       C     0.09     1.22     6.28     -83.62      -0.53     0.70     16
  15       C    -0.08    -1.22     8.65     -39.41      -0.34    -1.56     16
  16       C    -0.14    -2.42     9.98     -39.46      -0.39    -2.81     16
  17       C     0.14     2.53     6.69     -39.22      -0.26     2.27     16
  18       O    -0.31    -6.92    10.12     -19.65      -0.20    -7.12     16
  19       C     0.18     4.14     5.36      36.01       0.19     4.33     16
  20       C     0.04     1.28     7.99    -156.72      -1.25     0.03     16
  21       N    -0.37   -11.59    12.43      32.44       0.40   -11.19     16
  22       N    -0.19    -6.25    13.47      60.35       0.81    -5.44     16
  23       N    -0.19    -6.25    13.47      60.35       0.81    -5.44     16
  24       N    -0.37   -11.56    12.43      32.44       0.40   -11.16     16
  25       C    -0.20    -3.01     9.03     -39.46      -0.36    -3.36     16
  26       C    -0.10    -1.30     9.96     -39.41      -0.39    -1.69     16
  27       H     0.10     0.28     8.14     -51.93      -0.42    -0.14     16
  28       H     0.10     0.64     8.14     -51.93      -0.42     0.21     16
  29       H     0.10     0.98     7.93     -51.93      -0.41     0.57     16
  30       H     0.35     4.35     9.30      45.56       0.42     4.77     16
  31       H     0.16     0.39     8.06     -52.49      -0.42    -0.04     16
  32       H     0.16    -0.41     8.06     -52.49      -0.42    -0.83     16
  33       H     0.15    -0.42     8.06     -52.49      -0.42    -0.84     16
  34       H     0.16    -0.16     8.06     -52.49      -0.42    -0.58     16
  35       H     0.41     2.38     8.82     -40.82      -0.36     2.02     16
  36       H     0.14     2.27     6.41     -52.49      -0.34     1.94     16
  37       H     0.13     2.27     8.06     -52.49      -0.42     1.85     16
  38       H     0.07     1.40     7.65     -51.93      -0.40     1.01     16
  39       H     0.07     1.41     7.67     -51.93      -0.40     1.02     16
  40       H     0.13     1.86     6.29     -52.48      -0.33     1.53     16
  41       H     0.12     1.15     8.06     -52.49      -0.42     0.73     16
 Total:         -1.00   -44.96   367.54                 -5.73   -50.69