REAL300018465682.mol2 43                                                        
   1       O    -0.68   -23.41    17.24     -20.58      -0.35   -23.76     16
   2       C     0.52    17.00     8.00      34.35       0.27    17.27     16
   3       O    -0.66   -23.03    16.03     -27.60      -0.44   -23.47     16
   4       C    -0.08    -2.20     5.88    -104.92      -0.62    -2.81     16
   5       C    -0.11    -2.38     8.86     -38.88      -0.34    -2.73     16
   6       C     0.21     3.67     6.65     -83.79      -0.56     3.11     16
   7       N    -0.64    -8.89     4.94     -59.83      -0.30    -9.19     16
   8       C     0.16     2.12     4.07      -5.19      -0.02     2.10     16
   9       C    -0.11    -1.15     5.28    -104.29      -0.55    -1.70     16
  10       C    -0.07    -0.50     9.66     -39.63      -0.38    -0.89     16
  11       C    -0.13    -0.64    10.04     -39.48      -0.40    -1.04     16
  12       C    -0.08    -0.47    10.03     -39.63      -0.40    -0.87     16
  13       C    -0.12    -1.24     9.75     -39.25      -0.38    -1.63     16
  14       C     0.29     4.00     9.76     -38.72      -0.38     3.62     16
  15       O    -0.68   -14.46    13.34     -57.73      -0.77   -15.23     16
  16       O    -0.76   -17.30    17.25     -57.73      -1.00   -18.30     16
  17       C    -0.16    -2.80     9.81     -39.19      -0.38    -3.18     16
  18       C     0.07     1.46     6.70     -39.20      -0.26     1.19     16
  19       C     0.07     1.59     6.72     -38.55      -0.26     1.34     16
  20       O    -0.18    -4.44     7.98     -32.14      -0.26    -4.69     16
  21       C     0.06     1.17     6.70     -39.14      -0.26     0.90     16
  22       C    -0.10    -1.70     9.98     -39.45      -0.39    -2.10     16
  23       C    -0.11    -1.32    10.04     -39.56      -0.40    -1.72     16
  24       C    -0.12    -1.35    10.04     -39.56      -0.40    -1.74     16
  25       C    -0.11    -1.45     9.99     -39.45      -0.39    -1.85     16
  26       C     0.04     0.79     6.71     -39.14      -0.26     0.53     16
  27       O    -0.24    -4.47     9.94     -19.09      -0.19    -4.66     16
  28       H     0.15     3.23     6.29     -52.48      -0.33     2.90     16
  29       H     0.40     4.82     8.47     -40.82      -0.35     4.47     16
  30       H     0.13     2.19     5.58     -51.93      -0.29     1.90     16
  31       H     0.09     1.05     7.81     -51.93      -0.41     0.65     16
  32       H     0.16     0.70     8.03     -52.49      -0.42     0.28     16
  33       H     0.15     0.31     8.06     -52.49      -0.42    -0.12     16
  34       H     0.15     0.43     8.06     -52.48      -0.42     0.01     16
  35       H     0.16     1.79     7.77     -52.49      -0.41     1.38     16
  36       H     0.32     6.68     8.90      45.56       0.41     7.09     16
  37       H     0.31     6.61     8.90      45.56       0.41     7.01     16
  38       H     0.14     1.92     8.06     -52.49      -0.42     1.50     16
  39       H     0.15     2.32     8.06     -52.48      -0.42     1.90     16
  40       H     0.14     1.19     8.06     -52.48      -0.42     0.76     16
  41       H     0.13     1.02     8.06     -52.49      -0.42     0.60     16
  42       H     0.14     1.48     8.06     -52.48      -0.42     1.06     16
 Total:         -1.00   -45.67   369.56                 -8.85   -54.52