REAL300018010669.mol2 43                                                        
   1       C    -0.12     0.89    10.01      71.24       0.71     1.61     16
   2       C    -0.08     0.39     5.88     -19.87      -0.12     0.27     16
   3       C    -0.13     0.35     9.36      22.27       0.21     0.56     16
   4       C    -0.09     0.22     5.88     -19.87      -0.12     0.10     16
   5       C    -0.12     0.58    10.01      71.23       0.71     1.29     16
   6       C    -0.11     0.42     9.32      22.27       0.21     0.62     16
   7       C    -0.10     0.72     4.74     -19.87      -0.09     0.62     16
   8       C     0.04    -0.48     2.53      43.42       0.11    -0.37     16
   9       N    -0.47    12.96     1.25    -503.35      -0.63    12.33     16
  10       H     0.43   -11.59     6.72     -89.70      -0.60   -12.19     16
  11       H     0.44   -17.13     8.59     -89.69      -0.77   -17.90     16
  12       C     0.04    -1.16     5.11      85.56       0.44    -0.72     16
  13       C    -0.10     2.80     5.36     -19.80      -0.11     2.70     16
  14       C    -0.02     0.52     9.68      22.24       0.22     0.73     16
  15       C    -0.12     1.30     9.75      22.49       0.22     1.52     16
  16       C     0.33    -1.76     9.80      22.83       0.22    -1.54     16
  17       O    -0.74   -12.50    17.25    -127.47      -2.20   -14.70     16
  18       O    -0.75   -14.22    17.25    -127.47      -2.20   -16.42     16
  19       C    -0.11     1.74     9.75      22.49       0.22     1.96     16
  20       C    -0.01     0.24     9.68      22.24       0.22     0.46     16
  21       C     0.48     4.39     7.00      71.23       0.50     4.89     16
  22       O    -0.69    -8.17    14.79      19.03       0.28    -7.89     16
  23       O    -0.70   -17.79    17.87      19.05       0.34   -17.45     16
  24       C    -0.14     1.08     8.96      22.27       0.20     1.28     16
  25       H     0.09    -0.92     8.14      -2.39      -0.02    -0.94     16
  26       H     0.07    -0.58     8.09      -2.39      -0.02    -0.59     16
  27       H     0.07    -0.41     8.09      -2.39      -0.02    -0.43     16
  28       H     0.13    -0.61     8.06      -2.91      -0.02    -0.63     16
  29       H     0.09    -0.67     8.14      -2.39      -0.02    -0.69     16
  30       H     0.07    -0.32     8.09      -2.39      -0.02    -0.34     16
  31       H     0.07    -0.30     8.09      -2.39      -0.02    -0.31     16
  32       H     0.14    -0.81     8.04      -2.91      -0.02    -0.84     16
  33       H     0.18    -3.35     7.95      -2.38      -0.02    -3.37     16
  34       H     0.19    -6.70     8.05      -2.39      -0.02    -6.72     16
  35       H     0.14    -2.60     5.59      -2.38      -0.01    -2.62     16
  36       H     0.20    -4.36     8.06      -2.91      -0.02    -4.38     16
  37       H     0.17    -1.17     7.77      -2.91      -0.02    -1.20     16
  38       H     0.34     4.85     8.90     -74.06      -0.66     4.19     16
  39       H     0.33     5.34     8.90     -74.06      -0.66     4.68     16
  40       H     0.18    -2.55     7.77      -2.91      -0.02    -2.57     16
  41       H     0.24    -9.23     8.06      -2.91      -0.02    -9.25     16
  42       H     0.14    -2.08     6.73      -2.91      -0.02    -2.10     16
 Total:          0.00   -82.66   359.07                 -3.68   -86.34