REAL300013458597.mol2 38                                                        
   1       O    -0.69   -21.51    15.15     -20.23      -0.31   -21.82     16
   2       C     0.50    14.72     6.76      36.00       0.24    14.96     16
   3       O    -0.69   -22.74    17.02     -20.23      -0.34   -23.08     16
   4       C    -0.15    -3.15     0.50    -155.48      -0.08    -3.23     16
   5       C     0.17     3.28     3.88      -4.04      -0.02     3.27     16
   6       N    -0.69   -13.07     4.30     -65.22      -0.28   -13.35     16
   7       C     0.70    12.14     8.38     -86.92      -0.73    11.42     16
   8       O    -0.58   -10.73    13.73       5.29       0.07   -10.66     16
   9       N    -0.67    -9.68     5.34     -12.63      -0.07    -9.75     16
  10       C     0.23     3.04     6.51     -81.29      -0.53     2.51     16
  11       C    -0.13    -1.36     8.55     -39.97      -0.34    -1.70     16
  12       C    -0.03    -0.18     9.83     -40.14      -0.39    -0.57     16
  13       C    -0.11    -0.84    10.27     -37.00      -0.38    -1.22     16
  14       C     0.18     2.25     7.36     -79.59      -0.59     1.66     16
  15       C     0.15     2.17     7.34     -79.31      -0.58     1.59     16
  16       N    -0.34    -5.81    19.00      35.14       0.67    -5.15     16
  17       N    -0.33    -4.85    19.04      34.97       0.67    -4.18     16
  18       C    -0.12    -2.41     4.57     -26.59      -0.12    -2.53     16
  19       C     0.06     0.90     6.57      37.21       0.24     1.14     16
  20       O    -0.39    -6.51    10.76     -35.23      -0.38    -6.89     16
  21       C     0.06     0.95     6.57      37.21       0.24     1.19     16
  22       C    -0.13    -2.41     4.77     -26.59      -0.13    -2.53     16
  23       H     0.06     1.32     8.14     -51.93      -0.42     0.90     16
  24       H     0.06     1.01     5.01     -51.93      -0.26     0.75     16
  25       H     0.41     8.01     5.92     -40.82      -0.24     7.77     16
  26       H     0.41     5.52     8.84     -40.82      -0.36     5.16     16
  27       H     0.17     1.87     6.03     -52.49      -0.32     1.56     16
  28       H     0.15     0.49     8.06     -52.48      -0.42     0.06     16
  29       H     0.16     0.74     8.06     -52.49      -0.42     0.32     16
  30       H     0.08     1.82     7.75     -51.93      -0.40     1.42     16
  31       H     0.07     1.33     8.14     -51.93      -0.42     0.91     16
  32       H     0.05     0.70     6.61     -51.93      -0.34     0.36     16
  33       H     0.09     1.21     8.14     -51.93      -0.42     0.78     16
  34       H     0.05     0.70     6.60     -51.93      -0.34     0.36     16
  35       H     0.09     1.14     8.14     -51.93      -0.42     0.72     16
  36       H     0.06     1.15     6.83     -51.93      -0.35     0.79     16
  37       H     0.07     1.49     8.14     -51.93      -0.42     1.07     16
 Total:         -1.00   -37.30   306.63                 -4.08   -41.39