REAL300018457575.mol2 43                                                        
   1       O    -0.72   -43.68    17.21      17.64       0.30   -43.38     16
   2       C     0.50    27.53     7.99      70.19       0.56    28.09     16
   3       O    -0.72   -44.27    17.21      17.62       0.30   -43.96     16
   4       C    -0.15    -5.73     5.87     -20.10      -0.12    -5.85     16
   5       C    -0.11    -3.20     9.52      22.31       0.21    -2.99     16
   6       C    -0.08    -1.20    10.03      22.17       0.22    -0.98     16
   7       C    -0.13    -1.34     6.40     -20.14      -0.13    -1.47     16
   8       C    -0.19     1.14    11.00      23.52       0.26     1.39     16
   9       C     0.03    -0.38     6.49      24.77       0.16    -0.22     16
  10       C    -0.06     1.93     5.95      29.85       0.18     2.11     16
  11       C     0.01    -0.47     5.35      86.30       0.46    -0.01     16
  12       N    -0.48    23.69     1.59    -517.93      -0.82    22.87     16
  13       H     0.43   -19.93     7.04     -89.69      -0.63   -20.56     16
  14       H     0.45   -25.72     8.66     -89.69      -0.78   -26.49     16
  15       C     0.05    -2.20     4.64      85.56       0.40    -1.80     16
  16       C    -0.12     4.70     5.38     -19.65      -0.11     4.59     16
  17       C    -0.03     1.20     9.66      22.24       0.21     1.41     16
  18       C    -0.09     3.74    10.04      22.33       0.22     3.97     16
  19       C    -0.04     1.37    10.03      22.24       0.22     1.60     16
  20       C    -0.13     3.57     9.75      22.49       0.22     3.79     16
  21       C     0.33    -9.10     9.76      22.83       0.22    -8.87     16
  22       O    -0.71    14.28    12.35    -127.47      -1.57    12.71     16
  23       O    -0.76     0.63    17.25    -127.47      -2.20    -1.57     16
  24       O    -0.19    -0.24    10.58      -8.37      -0.09    -0.33     16
  25       C     0.04     0.54     7.40      22.93       0.17     0.71     16
  26       C    -0.08    -2.25     9.61      22.63       0.22    -2.03     16
  27       H     0.12     3.74     7.62      -2.91      -0.02     3.72     16
  28       H     0.16     1.16     8.06      -2.91      -0.02     1.13     16
  29       H     0.20    -2.77     8.06      -2.91      -0.02    -2.79     16
  30       H     0.14    -5.23     8.14      -2.38      -0.02    -5.25     16
  31       H     0.14    -5.05     8.14      -2.39      -0.02    -5.07     16
  32       H     0.15    -6.52     8.14      -2.38      -0.02    -6.54     16
  33       H     0.13    -4.97     8.14      -2.39      -0.02    -4.99     16
  34       H     0.19   -10.27     8.00      -2.38      -0.02   -10.29     16
  35       H     0.14    -5.26     5.78      -2.39      -0.01    -5.27     16
  36       H     0.23   -12.41     8.03      -2.91      -0.02   -12.43     16
  37       H     0.20    -8.74     8.06      -2.91      -0.02    -8.77     16
  38       H     0.19    -7.01     8.06      -2.91      -0.02    -7.03     16
  39       H     0.16    -3.35     7.77      -2.91      -0.02    -3.37     16
  40       H     0.35    -5.95     8.90     -74.05      -0.66    -6.61     16
  41       H     0.33    -0.86     8.90     -74.05      -0.66    -1.52     16
  42       H     0.12     3.64     7.62      -2.91      -0.02     3.62     16
 Total:          0.00  -145.23   364.21                 -3.51  -148.74