REAL300018011847.mol2 43                                                        
   1       C    -0.13     0.97     7.22      71.98       0.52     1.49     16
   2       C    -0.10     0.47     0.60     -53.67      -0.03     0.44     16
   3       C     0.03    -0.66     3.01      86.30       0.26    -0.40     16
   4       N    -0.51    17.68     1.66    -517.93      -0.86    16.82     16
   5       H     0.43   -11.58     7.57     -89.69      -0.68   -12.26     16
   6       H     0.44   -16.98     6.78     -89.70      -0.61   -17.59     16
   7       C     0.05    -2.29     5.50      85.56       0.47    -1.82     16
   8       C    -0.11     3.99     5.36     -19.80      -0.11     3.88     16
   9       C    -0.03     0.71     9.68      22.24       0.22     0.93     16
  10       C    -0.12     1.66     9.75      22.49       0.22     1.88     16
  11       C     0.33    -1.97     9.80      22.82       0.22    -1.75     16
  12       O    -0.74   -13.09    17.25    -127.47      -2.20   -15.29     16
  13       O    -0.75   -14.74    17.25    -127.47      -2.20   -16.94     16
  14       C    -0.12     2.00     9.75      22.48       0.22     2.22     16
  15       C    -0.01     0.32     9.68      22.24       0.22     0.54     16
  16       C     0.47     7.41     5.19      71.24       0.37     7.78     16
  17       O    -0.72   -17.98    17.70      19.04       0.34   -17.65     16
  18       O    -0.72   -19.15    16.88      19.06       0.32   -18.83     16
  19       C    -0.06    -0.08     4.66     -19.86      -0.09    -0.17     16
  20       C    -0.12     0.78     8.98      22.27       0.20     0.98     16
  21       C    -0.12     0.42    10.05      22.27       0.22     0.64     16
  22       C    -0.14    -0.28    10.05      22.27       0.22    -0.06     16
  23       C    -0.14    -1.01    10.05      22.27       0.22    -0.78     16
  24       C    -0.14    -1.45     8.82      22.27       0.20    -1.26     16
  25       H     0.08    -1.02     6.61      -2.39      -0.02    -1.04     16
  26       H     0.02     0.13     7.35      -2.39      -0.02     0.12     16
  27       H     0.10    -1.63     8.14      -2.39      -0.02    -1.65     16
  28       H     0.14    -3.64     7.44      -2.39      -0.02    -3.66     16
  29       H     0.19    -7.44     7.53      -2.39      -0.02    -7.46     16
  30       H     0.21   -10.98     8.08      -2.39      -0.02   -11.00     16
  31       H     0.17    -8.02     8.08      -2.39      -0.02    -8.04     16
  32       H     0.21    -6.79     8.06      -2.91      -0.02    -6.81     16
  33       H     0.16    -1.36     7.77      -2.91      -0.02    -1.38     16
  34       H     0.33     5.12     8.90     -74.05      -0.66     4.46     16
  35       H     0.33     5.59     8.90     -74.05      -0.66     4.93     16
  36       H     0.18    -2.52     7.77      -2.91      -0.02    -2.54     16
  37       H     0.24   -10.35     8.06      -2.91      -0.02   -10.38     16
  38       H     0.18    -3.49     5.89      -2.91      -0.02    -3.51     16
  39       H     0.15    -1.51     8.06      -2.91      -0.02    -1.53     16
  40       H     0.13    -0.20     8.06      -2.91      -0.02    -0.23     16
  41       H     0.12     0.72     8.06      -2.91      -0.02     0.70     16
  42       H     0.08     1.36     7.58      -2.91      -0.02     1.34     16
 Total:          0.00  -110.86   353.57                 -3.98  -114.84