REAL300013458606.mol2 36                                                        
   1       O    -0.69   -23.41    17.90     -20.23      -0.36   -23.78     16
   2       C     0.52    15.97     6.86      36.01       0.25    16.22     16
   3       O    -0.68   -23.28    16.54     -20.22      -0.33   -23.62     16
   4       C    -0.16    -3.76     1.00    -152.79      -0.15    -3.92     16
   5       C     0.07     1.47     6.42      37.89       0.24     1.72     16
   6       O    -0.38    -6.79    11.65     -35.23      -0.41    -7.20     16
   7       C     0.05     0.85     6.87      37.88       0.26     1.11     16
   8       C    -0.12    -2.35     3.72     -87.75      -0.33    -2.68     16
   9       H     0.12     2.54     6.97     -51.93      -0.36     2.18     16
  10       C     0.11     1.64     6.42      -1.57      -0.01     1.63     16
  11       N    -0.62   -11.39     3.35    -173.87      -0.58   -11.97     16
  12       C     0.73    12.95     8.38     -86.92      -0.73    12.22     16
  13       O    -0.56   -11.22    13.99       5.30       0.07   -11.15     16
  14       N    -0.67    -9.51     5.31     -12.63      -0.07    -9.58     16
  15       C     0.23     2.99     6.51     -81.29      -0.53     2.46     16
  16       C    -0.13    -1.36     8.55     -39.97      -0.34    -1.70     16
  17       C    -0.02    -0.16     9.83     -40.14      -0.39    -0.56     16
  18       C    -0.11    -0.84    10.27     -37.01      -0.38    -1.22     16
  19       C     0.18     2.25     7.36     -79.59      -0.59     1.66     16
  20       C     0.15     2.14     7.34     -79.31      -0.58     1.55     16
  21       N    -0.35    -5.82    19.00      35.14       0.67    -5.15     16
  22       N    -0.32    -4.57    19.05      34.97       0.67    -3.91     16
  23       C     0.15     3.13     6.16      -2.50      -0.02     3.12     16
  24       H     0.06     1.30     7.98     -51.93      -0.41     0.89     16
  25       H     0.09     1.71     7.75     -51.93      -0.40     1.30     16
  26       H     0.09     1.08     7.73     -51.93      -0.40     0.68     16
  27       H     0.06     0.96     8.14     -51.93      -0.42     0.54     16
  28       H     0.08     1.02     7.56     -51.93      -0.39     0.63     16
  29       H     0.07     0.93     6.97     -51.93      -0.36     0.57     16
  30       H     0.41     5.12     7.27     -40.82      -0.30     4.82     16
  31       H     0.17     1.94     6.03     -52.48      -0.32     1.63     16
  32       H     0.15     0.52     8.06     -52.49      -0.42     0.09     16
  33       H     0.16     0.74     8.06     -52.48      -0.42     0.31     16
  34       H     0.09     2.15     7.59     -51.93      -0.39     1.75     16
  35       H     0.07     1.27     7.57     -51.92      -0.39     0.88     16
 Total:         -1.00   -39.81   300.16                 -4.13   -43.94