REAL300020178154.mol2 41                                                        
   1       O    -0.54   -10.37    13.16       5.55       0.07   -10.30     16
   2       C     0.52     9.17     7.63     -10.98      -0.08     9.09     16
   3       C    -0.14    -1.84     5.68     -27.88      -0.16    -2.00     16
   4       C    -0.07    -0.77     4.62     -27.88      -0.13    -0.90     16
   5       C    -0.08    -0.72     5.16    -104.37      -0.54    -1.26     16
   6       C    -0.09    -0.48     9.69     -39.58      -0.38    -0.86     16
   7       C    -0.10    -0.40    10.04     -39.47      -0.40    -0.79     16
   8       C    -0.11    -0.56    10.04     -39.63      -0.40    -0.95     16
   9       C    -0.08    -0.73     6.31    -104.36      -0.66    -1.39     16
  10       C     0.26     3.10     9.97     -38.81      -0.39     2.71     16
  11       O    -0.53    -9.70    17.75     -56.57      -1.00   -10.71     16
  12       O    -0.47    -8.19    15.05     -56.57      -0.85    -9.04     16
  13       C     0.09     1.07     7.74      35.91       0.28     1.35     16
  14       N    -0.65   -13.17     5.03      -9.69      -0.05   -13.22     16
  15       C     0.16     3.44     6.43     -83.44      -0.54     2.90     16
  16       C    -0.14    -2.56     8.71     -39.43      -0.34    -2.90     16
  17       C    -0.11    -1.88    10.03     -39.56      -0.40    -2.28     16
  18       C    -0.14    -2.40    10.03     -39.60      -0.40    -2.80     16
  19       C    -0.08    -1.70     9.70     -39.29      -0.38    -2.08     16
  20       C     0.01     0.17     5.89    -104.72      -0.62    -0.45     16
  21       C     0.09     2.52     7.88    -156.43      -1.23     1.29     16
  22       N    -0.39   -11.09     9.57      32.13       0.31   -10.78     16
  23       N    -0.18    -5.57    13.45      60.35       0.81    -4.75     16
  24       N    -0.19    -5.76    13.45      60.35       0.81    -4.95     16
  25       N    -0.37   -10.91    12.15      32.13       0.39   -10.51     16
  26       H     0.10     1.03     8.14     -51.93      -0.42     0.60     16
  27       H     0.11     1.62     8.14     -51.93      -0.42     1.19     16
  28       H     0.10     1.47     7.30     -51.93      -0.38     1.09     16
  29       H     0.09     0.91     8.01     -51.93      -0.42     0.49     16
  30       H     0.16     0.48     8.06     -52.49      -0.42     0.05     16
  31       H     0.15     0.13     8.06     -52.49      -0.42    -0.29     16
  32       H     0.16     0.35     8.06     -52.49      -0.42    -0.07     16
  33       H     0.36     5.70     9.30      45.56       0.42     6.13     16
  34       H     0.07     0.63     8.14     -51.93      -0.42     0.21     16
  35       H     0.07     0.69     8.14     -51.93      -0.42     0.27     16
  36       H     0.43     9.15     5.93     -40.82      -0.24     8.91     16
  37       H     0.14     2.56     5.80     -52.49      -0.30     2.26     16
  38       H     0.12     1.55     8.06     -52.49      -0.42     1.13     16
  39       H     0.12     1.60     8.06     -52.48      -0.42     1.18     16
  40       H     0.13     2.67     7.88     -52.49      -0.41     2.26     16
 Total:         -1.00   -38.78   352.24                 -6.10   -44.87