REAL300019794427.mol2 42                                                        
   1       O    -0.54   -10.46    14.87      -7.27      -0.11   -10.57     16
   2       C     0.52     8.15     7.59     -10.99      -0.08     8.06     16
   3       C    -0.16    -1.79     3.73     -27.88      -0.10    -1.89     16
   4       C     0.13     1.56     3.11     -27.97      -0.09     1.47     16
   5       O    -0.37    -6.21    14.02     -63.04      -0.88    -7.09     16
   6       O    -0.59    -9.56    18.54     -56.57      -1.05   -10.61     16
   7       C     0.24     2.24    10.28     -38.81      -0.40     1.84     16
   8       C    -0.12    -0.66    10.09     -39.33      -0.40    -1.06     16
   9       C    -0.08    -0.20    10.04     -39.59      -0.40    -0.60     16
  10       C    -0.10    -0.25    10.04     -39.47      -0.40    -0.64     16
  11       C    -0.09    -0.40    10.04     -39.62      -0.40    -0.80     16
  12       C    -0.07    -0.60     5.56    -104.36      -0.58    -1.18     16
  13       N    -0.61    -9.32     2.97    -172.49      -0.51    -9.83     16
  14       C     0.11     1.49     6.13      -3.49      -0.02     1.47     16
  15       C    -0.15    -2.46     5.08     -26.38      -0.13    -2.59     16
  16       C     0.25     5.11     0.94     -91.73      -0.09     5.02     16
  17       O    -0.56   -10.65    11.69     -35.23      -0.41   -11.07     16
  18       C     0.03     0.77     6.86    -156.72      -1.08    -0.30     16
  19       N    -0.38   -11.08    11.77      32.44       0.38   -10.70     16
  20       N    -0.20    -6.14    13.47      60.35       0.81    -5.33     16
  21       N    -0.20    -6.06    13.47      60.35       0.81    -5.24     16
  22       N    -0.39   -11.00    12.43      32.44       0.40   -10.60     16
  23       C    -0.10    -1.96     4.63     -26.60      -0.12    -2.09     16
  24       C     0.12     1.97     6.19      -3.69      -0.02     1.95     16
  25       H     0.10     1.05     7.93     -51.93      -0.41     0.63     16
  26       H     0.10     0.80     7.70     -51.93      -0.40     0.40     16
  27       H     0.10     1.30     7.91     -51.93      -0.41     0.89     16
  28       H     0.35     4.86     9.30      45.56       0.42     5.29     16
  29       H     0.16     0.67     8.06     -52.48      -0.42     0.25     16
  30       H     0.16    -0.10     8.06     -52.48      -0.42    -0.53     16
  31       H     0.15    -0.04     8.06     -52.49      -0.42    -0.47     16
  32       H     0.16     0.39     8.06     -52.48      -0.42    -0.03     16
  33       H     0.08     0.97     7.81     -51.93      -0.41     0.56     16
  34       H     0.08     0.79     5.93     -51.93      -0.31     0.48     16
  35       H     0.07     1.25     8.14     -51.93      -0.42     0.83     16
  36       H     0.08     1.37     8.14     -51.93      -0.42     0.94     16
  37       H     0.38     6.45     9.04      45.56       0.41     6.86     16
  38       H     0.08     1.61     8.14     -51.93      -0.42     1.19     16
  39       H     0.08     1.76     8.14     -51.93      -0.42     1.34     16
  40       H     0.09     1.55     7.00     -51.93      -0.36     1.19     16
  41       H     0.07     1.23     7.81     -51.93      -0.41     0.83     16
 Total:         -1.00   -41.61   348.77                 -4.86   -46.46