REAL300018491458.mol2 44                                                        
   1       O    -0.72   -40.56    17.40      25.15       0.44   -40.12     16
   2       C     0.46    22.38     8.13      71.24       0.58    22.96     16
   3       O    -0.74   -41.80    18.00      19.03       0.34   -41.46     16
   4       C     0.04     0.94     6.31      71.24       0.45     1.39     16
   5       O    -0.39    -7.25     9.52    -130.00      -1.24    -8.49     16
   6       C     0.05    -0.26     2.61      30.60       0.08    -0.19     16
   7       C    -0.12     1.82     5.57      30.60       0.17     1.99     16
   8       C    -0.13     4.71     5.42      30.60       0.17     4.88     16
   9       C     0.05    -2.58     2.28      44.91       0.10    -2.48     16
  10       N    -0.49    30.39     1.57    -495.58      -0.78    29.62     16
  11       H     0.45   -30.38     8.60     -89.69      -0.77   -31.15     16
  12       H     0.44   -29.08     8.59     -89.70      -0.77   -29.85     16
  13       C     0.05    -2.83     5.22      85.56       0.45    -2.38     16
  14       C    -0.10     5.21     5.36     -19.80      -0.11     5.10     16
  15       C    -0.01     0.59     9.68      22.24       0.22     0.80     16
  16       C    -0.12     3.31     9.75      22.48       0.22     3.53     16
  17       C     0.33    -5.30     9.80      22.82       0.22    -5.07     16
  18       O    -0.75    -8.75    17.25    -127.47      -2.20   -10.95     16
  19       O    -0.75    -9.00    17.25    -127.47      -2.20   -11.20     16
  20       C    -0.12     3.26     9.75      22.48       0.22     3.48     16
  21       C    -0.02     0.73     9.68      22.24       0.22     0.94     16
  22       C    -0.13     5.15     4.99      30.61       0.15     5.31     16
  23       C    -0.14     2.35     5.54      30.62       0.17     2.52     16
  24       H     0.07     1.43     8.08      -2.39      -0.02     1.41     16
  25       H     0.07     1.45     7.87      -2.39      -0.02     1.43     16
  26       H     0.07    -0.51     7.79      -2.39      -0.02    -0.53     16
  27       H     0.07    -0.94     8.14      -2.39      -0.02    -0.96     16
  28       H     0.05    -0.39     8.14      -2.39      -0.02    -0.41     16
  29       H     0.12    -5.27     8.14      -2.38      -0.02    -5.28     16
  30       H     0.10    -4.01     8.14      -2.39      -0.02    -4.03     16
  31       H     0.17    -8.46     8.09      -2.39      -0.02    -8.47     16
  32       H     0.17   -10.81     6.23      -2.39      -0.01   -10.83     16
  33       H     0.18   -11.86     8.05      -2.39      -0.02   -11.88     16
  34       H     0.23   -12.26     8.06      -2.91      -0.02   -12.28     16
  35       H     0.17    -3.58     7.77      -2.91      -0.02    -3.60     16
  36       H     0.33     3.34     8.90     -74.06      -0.66     2.68     16
  37       H     0.33     3.42     8.90     -74.05      -0.66     2.76     16
  38       H     0.16    -3.40     7.77      -2.91      -0.02    -3.42     16
  39       H     0.23   -11.72     8.06      -2.90      -0.02   -11.74     16
  40       H     0.11    -4.38     8.14      -2.39      -0.02    -4.40     16
  41       H     0.13    -6.03     6.40      -2.39      -0.02    -6.05     16
  42       H     0.07    -0.99     8.14      -2.39      -0.02    -1.01     16
  43       H     0.05    -0.45     7.87      -2.39      -0.02    -0.47     16
 Total:          0.00  -172.34   356.96                 -5.54  -177.89