REAL300018376505.mol2 43                                                        
   1       O    -0.69   -14.30    16.46      19.05       0.31   -13.99     16
   2       C     0.50     9.23     6.09      71.24       0.43     9.66     16
   3       O    -0.69   -21.41    17.22      19.03       0.33   -21.08     16
   4       C     0.03     0.10     1.93      43.42       0.08     0.19     16
   5       N    -0.47     4.98     1.06    -503.39      -0.53     4.45     16
   6       H     0.44    -6.47     6.41     -89.70      -0.58    -7.04     16
   7       H     0.43    -6.01     8.34     -89.69      -0.75    -6.76     16
   8       C     0.04    -0.44     4.92      85.56       0.42    -0.02     16
   9       C    -0.13     2.28     5.38     -19.65      -0.11     2.17     16
  10       C    -0.04     0.91     9.66      22.24       0.21     1.13     16
  11       C    -0.09     2.24    10.04      22.33       0.22     2.46     16
  12       C    -0.04     0.98    10.03      22.24       0.22     1.20     16
  13       C    -0.11     2.22     9.88      22.48       0.22     2.45     16
  14       C     0.22    -3.17     8.81      22.82       0.20    -2.97     16
  15       O    -0.64    -4.95    16.77    -127.47      -2.14    -7.09     16
  16       O    -0.61    -3.82    17.89    -127.47      -2.28    -6.10     16
  17       C    -0.11    -0.61     4.96     -19.80      -0.10    -0.71     16
  18       C    -0.11     0.13     9.09      22.04       0.20     0.33     16
  19       C    -0.12     0.16     9.95      22.04       0.22     0.38     16
  20       C    -0.10    -0.19     9.77      22.33       0.22     0.02     16
  21       C    -0.07    -0.57     5.74     -21.30      -0.12    -0.69     16
  22       C    -0.11    -0.64     9.77      22.33       0.22    -0.42     16
  23       C    -0.12    -0.80     9.95      22.04       0.22    -0.58     16
  24       C    -0.12    -1.25     9.95      22.04       0.22    -1.03     16
  25       C    -0.12    -1.65     9.17      22.33       0.20    -1.45     16
  26       C    -0.06    -0.64     5.74     -21.30      -0.12    -0.76     16
  27       H     0.14     0.55     6.65      -2.39      -0.02     0.53     16
  28       H     0.14    -1.53     4.87      -2.39      -0.01    -1.54     16
  29       H     0.15    -1.38     6.54      -2.39      -0.02    -1.40     16
  30       H     0.19    -4.35     8.00      -2.91      -0.02    -4.37     16
  31       H     0.19    -5.66     8.06      -2.91      -0.02    -5.68     16
  32       H     0.20    -6.16     8.06      -2.91      -0.02    -6.19     16
  33       H     0.18    -3.92     8.06      -2.91      -0.02    -3.94     16
  34       H     0.32    -0.30     6.80     -74.05      -0.50    -0.80     16
  35       H     0.34    -1.72     8.83     -74.06      -0.65    -2.38     16
  36       H     0.15    -1.68     6.34      -2.91      -0.02    -1.70     16
  37       H     0.16    -1.34     8.06      -2.91      -0.02    -1.37     16
  38       H     0.16    -0.56     8.06      -2.91      -0.02    -0.58     16
  39       H     0.16    -0.09     8.06      -2.91      -0.02    -0.11     16
  40       H     0.15     0.16     8.06      -2.91      -0.02     0.13     16
  41       H     0.14     0.91     8.06      -2.91      -0.02     0.89     16
  42       H     0.12     1.79     5.82      -2.91      -0.02     1.77     16
 Total:          0.00   -68.99   353.29                 -4.00   -72.99