REAL300020159473.mol2 41                                                        
   1       O    -0.51    -9.06    13.11      -8.79      -0.12    -9.17     16
   2       C     0.51     7.08     7.45     -10.98      -0.08     7.00     16
   3       C    -0.16    -1.44     5.40     -27.88      -0.15    -1.59     16
   4       C     0.13     1.36     3.12     -27.98      -0.09     1.28     16
   5       O    -0.38    -5.90    13.93     -63.49      -0.88    -6.79     16
   6       O    -0.58    -8.99    18.54     -56.57      -1.05   -10.04     16
   7       C     0.24     2.00    10.28     -38.81      -0.40     1.60     16
   8       C    -0.12    -0.54    10.09     -39.33      -0.40    -0.94     16
   9       C    -0.08    -0.11    10.04     -39.59      -0.40    -0.51     16
  10       C    -0.10    -0.11    10.04     -39.48      -0.40    -0.51     16
  11       C    -0.09    -0.26    10.04     -39.63      -0.40    -0.65     16
  12       C    -0.08    -0.51     5.57    -104.36      -0.58    -1.09     16
  13       N    -0.67    -9.21     5.34      -9.86      -0.05    -9.26     16
  14       C     0.14     2.38     6.28     -83.69      -0.53     1.85     16
  15       C    -0.13    -2.35     8.66     -39.39      -0.34    -2.69     16
  16       C    -0.11    -1.89    10.04     -39.61      -0.40    -2.28     16
  17       C    -0.12    -2.28     9.70     -39.55      -0.38    -2.66     16
  18       C    -0.04    -0.83     5.11    -104.65      -0.54    -1.37     16
  19       C     0.03     0.73     5.97     -29.04      -0.17     0.56     16
  20       C     0.06     1.64     7.63    -155.99      -1.19     0.45     16
  21       N    -0.38   -11.86    12.45      32.58       0.41   -11.46     16
  22       N    -0.20    -6.50    13.46      60.35       0.81    -5.69     16
  23       N    -0.20    -6.50    13.46      60.35       0.81    -5.68     16
  24       N    -0.39   -11.80    12.45      32.58       0.41   -11.39     16
  25       C    -0.13    -2.41     9.62     -39.39      -0.38    -2.79     16
  26       H     0.10     0.51     8.14     -51.93      -0.42     0.09     16
  27       H     0.10     0.89     8.14     -51.93      -0.42     0.47     16
  28       H     0.10     1.09     7.95     -51.93      -0.41     0.67     16
  29       H     0.35     4.69     9.30      45.56       0.42     5.11     16
  30       H     0.16     0.55     8.06     -52.48      -0.42     0.12     16
  31       H     0.16    -0.25     8.06     -52.49      -0.42    -0.67     16
  32       H     0.15    -0.25     8.06     -52.48      -0.42    -0.67     16
  33       H     0.16     0.06     8.06     -52.49      -0.42    -0.36     16
  34       H     0.41     4.30     8.82     -40.82      -0.36     3.94     16
  35       H     0.13     2.40     6.41     -52.49      -0.34     2.06     16
  36       H     0.12     1.84     8.06     -52.48      -0.42     1.42     16
  37       H     0.12     2.27     8.06     -52.49      -0.42     1.85     16
  38       H     0.08     1.51     8.09     -51.93      -0.42     1.09     16
  39       H     0.08     1.57     8.08     -51.93      -0.42     1.15     16
  40       H     0.12     2.15     8.06     -52.49      -0.42     1.72     16
 Total:         -1.00   -44.05   359.10                 -6.40   -50.45