REAL300013458648.mol2 38                                                        
   1       O    -0.70   -23.78    18.00     -20.23      -0.36   -24.14     16
   2       C     0.51    15.09     5.83      36.00       0.21    15.30     16
   3       O    -0.68   -21.49    15.34     -20.22      -0.31   -21.80     16
   4       C    -0.16    -3.62     3.27     -90.72      -0.30    -3.91     16
   5       C     0.12     2.27     6.44      -2.22      -0.01     2.26     16
   6       N    -0.63   -10.76     3.33    -175.17      -0.58   -11.34     16
   7       C     0.73    11.58     8.38     -86.92      -0.73    10.85     16
   8       O    -0.57    -9.65    14.01       5.30       0.07    -9.57     16
   9       N    -0.67    -9.12     5.31     -12.63      -0.07    -9.19     16
  10       C     0.23     2.76     6.51     -81.29      -0.53     2.23     16
  11       C    -0.13    -1.21     8.55     -39.97      -0.34    -1.55     16
  12       C    -0.02    -0.15     9.83     -40.14      -0.39    -0.54     16
  13       C    -0.11    -0.73    10.27     -37.01      -0.38    -1.11     16
  14       C     0.18     2.09     7.36     -79.59      -0.59     1.50     16
  15       C     0.15     2.01     7.34     -79.31      -0.58     1.43     16
  16       N    -0.35    -5.59    19.00      35.14       0.67    -4.92     16
  17       N    -0.32    -4.40    19.05      34.97       0.67    -3.73     16
  18       C     0.15     2.69     6.27      -2.76      -0.02     2.67     16
  19       C    -0.08    -1.53     1.07    -154.31      -0.16    -1.69     16
  20       C    -0.09    -1.77     5.37     -26.34      -0.14    -1.91     16
  21       C    -0.15    -2.45     7.94     -25.73      -0.20    -2.65     16
  22       C    -0.13    -2.17     7.19     -26.33      -0.19    -2.36     16
  23       H     0.07     1.68     7.95     -51.93      -0.41     1.27     16
  24       H     0.08     1.66     7.86     -51.93      -0.41     1.26     16
  25       H     0.06     1.12     6.94     -51.93      -0.36     0.76     16
  26       H     0.41     5.46     7.26     -40.82      -0.30     5.17     16
  27       H     0.17     1.72     6.03     -52.49      -0.32     1.41     16
  28       H     0.15     0.36     8.06     -52.48      -0.42    -0.07     16
  29       H     0.16     0.60     8.06     -52.49      -0.42     0.18     16
  30       H     0.08     1.31     7.66     -51.93      -0.40     0.91     16
  31       H     0.08     1.36     8.04     -51.93      -0.42     0.94     16
  32       H     0.09     2.22     6.50     -51.93      -0.34     1.88     16
  33       H     0.07     1.34     8.04     -51.93      -0.42     0.93     16
  34       H     0.07     1.02     8.14     -51.93      -0.42     0.59     16
  35       H     0.06     0.91     8.14     -51.93      -0.42     0.49     16
  36       H     0.06     0.96     8.04     -51.93      -0.42     0.54     16
  37       H     0.08     1.43     8.13     -51.93      -0.42     1.00     16
 Total:         -1.00   -36.75   310.50                 -5.49   -42.25