REAL300013458588.mol2 31                                                        
   1       C    -0.12    -2.29     8.58      37.16       0.32    -1.98     16
   2       C     0.05     1.06     0.97     -91.77      -0.09     0.97     16
   3       O    -0.56   -12.01    12.34     -55.08      -0.68   -12.69     16
   4       C     0.13     2.50     4.69      -4.04      -0.02     2.48     16
   5       N    -0.72   -10.88     5.15     -65.23      -0.34   -11.21     16
   6       C     0.70    10.21     8.33     -86.93      -0.72     9.48     16
   7       O    -0.56    -9.60    13.49       5.29       0.07    -9.53     16
   8       N    -0.67    -7.71     5.36     -12.63      -0.07    -7.78     16
   9       C     0.24     2.70     6.64     -81.29      -0.54     2.16     16
  10       C    -0.16    -1.54     8.58     -39.97      -0.34    -1.88     16
  11       C     0.00     0.00     9.83     -40.13      -0.39    -0.40     16
  12       C    -0.13    -0.83    10.27     -37.01      -0.38    -1.21     16
  13       C     0.20     2.05     7.36     -79.58      -0.59     1.47     16
  14       C     0.14     1.73     7.33     -79.31      -0.58     1.15     16
  15       N    -0.38    -5.43    18.95      35.14       0.67    -4.76     16
  16       N    -0.29    -3.68    19.05      34.97       0.67    -3.02     16
  17       C     0.48    14.80     6.78      36.01       0.24    15.05     16
  18       O    -0.68   -23.19    17.26     -26.63      -0.46   -23.65     16
  19       O    -0.68   -22.82    17.66     -20.23      -0.36   -23.17     16
  20       H     0.07     1.48     8.09     -51.93      -0.42     1.06     16
  21       H     0.06     1.22     8.14     -51.93      -0.42     0.80     16
  22       H     0.04     0.70     6.86     -51.93      -0.36     0.35     16
  23       H     0.37     7.52     8.85      45.56       0.40     7.92     16
  24       H     0.09     1.83     8.09     -51.93      -0.42     1.41     16
  25       H     0.07     1.40     8.14     -51.92      -0.42     0.98     16
  26       H     0.40     5.34     7.21     -40.82      -0.29     5.05     16
  27       H     0.41     4.08     8.77     -40.82      -0.36     3.73     16
  28       H     0.17     1.91     5.60     -52.49      -0.29     1.62     16
  29       H     0.15     0.40     8.06     -52.49      -0.42    -0.02     16
  30       H     0.16     0.55     8.06     -52.49      -0.42     0.13     16
 Total:         -1.00   -38.49   274.51                 -2.88   -41.37