REAL300009850661.mol2 44                                                        
   1       O    -0.66   -21.84    16.20     -20.23      -0.33   -22.16     16
   2       C     0.49    14.65     5.72      36.00       0.21    14.86     16
   3       O    -0.68   -22.55    18.00     -20.23      -0.36   -22.91     16
   4       C     0.04     0.81     3.29     -68.15      -0.22     0.59     16
   5       C    -0.08    -1.50     6.39     -27.05      -0.17    -1.68     16
   6       C    -0.01    -0.09     7.06     -80.13      -0.57    -0.66     16
   7       C     0.62     8.44     7.65     -13.02      -0.10     8.34     16
   8       O    -0.51    -8.02    16.36       5.16       0.08    -7.94     16
   9       N    -0.62    -5.72     2.97    -174.19      -0.52    -6.23     16
  10       C     0.13     0.79     6.44      -3.49      -0.02     0.77     16
  11       C    -0.19    -1.29     6.10     -26.39      -0.16    -1.45     16
  12       C     0.39     3.27     5.51     -26.69      -0.15     3.12     16
  13       O    -0.75   -13.78    17.78     -57.73      -1.03   -14.81     16
  14       O    -0.72   -13.44    16.95     -57.73      -0.98   -14.41     16
  15       C    -0.18    -1.55     5.25     -26.61      -0.14    -1.69     16
  16       C     0.09     0.67     6.30      -3.71      -0.02     0.65     16
  17       N    -0.18    -3.01     7.56      34.92       0.26    -2.75     16
  18       N    -0.42    -8.53     3.55     -52.30      -0.19    -8.72     16
  19       C     0.24     4.75     6.15     -83.78      -0.51     4.23     16
  20       C    -0.17    -2.76     9.64     -39.37      -0.38    -3.14     16
  21       C    -0.09    -1.31    10.04     -39.61      -0.40    -1.71     16
  22       C    -0.17    -2.40    10.04     -39.53      -0.40    -2.79     16
  23       C    -0.08    -1.39    10.04     -39.61      -0.40    -1.79     16
  24       C    -0.14    -2.76     8.50     -39.37      -0.33    -3.10     16
  25       H     0.09     1.89     8.14     -51.93      -0.42     1.47     16
  26       H     0.10     1.56     8.14     -51.93      -0.42     1.14     16
  27       H     0.10     2.20     7.73     -51.93      -0.40     1.79     16
  28       H     0.09     0.25     8.14     -51.93      -0.42    -0.17     16
  29       H     0.13     0.87     7.04     -51.93      -0.37     0.50     16
  30       H     0.11     1.02     8.14     -51.93      -0.42     0.59     16
  31       H     0.12     0.69     8.14     -51.93      -0.42     0.27     16
  32       H     0.15     0.66     8.14     -51.93      -0.42     0.23     16
  33       H     0.32     5.34     8.90      45.56       0.41     5.74     16
  34       H     0.32     5.49     8.90      45.56       0.41     5.89     16
  35       H     0.12     1.39     7.98     -51.93      -0.41     0.98     16
  36       H     0.12     0.93     8.14     -51.92      -0.42     0.51     16
  37       H     0.18     1.87     3.70    -126.37      -0.47     1.40     16
  38       H     0.09     0.38     8.14     -51.93      -0.42    -0.04     16
  39       H     0.12     1.74     7.66     -52.49      -0.40     1.33     16
  40       H     0.12     1.33     8.06     -52.48      -0.42     0.91     16
  41       H     0.12     1.33     8.06     -52.49      -0.42     0.91     16
  42       H     0.12     1.70     8.06     -52.48      -0.42     1.28     16
  43       H     0.12     2.77     6.38     -52.49      -0.34     2.44     16
 Total:         -1.00   -45.15   361.08                 -7.61   -52.75