REAL300018065548.mol2 41                                                        
   1       C     0.01    -0.01     9.81     113.37       1.11     1.10     16
   2       O    -0.34    -6.15     8.56     -68.17      -0.58    -6.73     16
   3       C     0.13     1.41     6.70      22.89       0.15     1.57     16
   4       C    -0.18     2.78     8.67      22.34       0.19     2.98     16
   5       C    -0.08     2.21     5.36     -19.83      -0.11     2.11     16
   6       C     0.07    -3.84     5.49      85.56       0.47    -3.37     16
   7       N    -0.51    30.79     1.74    -521.98      -0.91    29.89     16
   8       H     0.44   -27.15     8.66     -89.69      -0.78   -27.92     16
   9       H     0.44   -27.14     8.66     -89.69      -0.78   -27.92     16
  10       C     0.06    -3.71     5.50      85.56       0.47    -3.24     16
  11       C    -0.11     5.39     5.36     -19.80      -0.11     5.29     16
  12       C    -0.02     0.66     9.68      22.24       0.22     0.87     16
  13       C    -0.13     3.09     9.75      22.48       0.22     3.31     16
  14       C     0.32    -4.43     9.80      22.82       0.22    -4.20     16
  15       O    -0.75   -10.79    17.25    -127.47      -2.20   -12.99     16
  16       O    -0.75   -10.71    17.25    -127.47      -2.20   -12.91     16
  17       C    -0.13     3.08     9.75      22.48       0.22     3.29     16
  18       C    -0.02     0.66     9.68      22.24       0.22     0.88     16
  19       C    -0.13     1.97     9.67      22.23       0.21     2.18     16
  20       C    -0.07    -0.71     9.59      22.54       0.22    -0.49     16
  21       C    -0.22    -5.35     5.88     -20.03      -0.12    -5.46     16
  22       C     0.48    23.26     8.00      70.17       0.56    23.82     16
  23       O    -0.75   -41.77    17.24      17.63       0.30   -41.46     16
  24       O    -0.72   -40.47    16.06      24.33       0.39   -40.08     16
  25       H     0.08    -0.75     7.66      -2.39      -0.02    -0.77     16
  26       H     0.08     0.11     8.14      -2.38      -0.02     0.09     16
  27       H     0.09    -1.07     7.66      -2.39      -0.02    -1.09     16
  28       H     0.19    -5.24     6.30      -2.91      -0.02    -5.25     16
  29       H     0.18   -10.54     8.08      -2.39      -0.02   -10.56     16
  30       H     0.18   -10.41     8.08      -2.39      -0.02   -10.43     16
  31       H     0.19   -12.84     8.08      -2.38      -0.02   -12.86     16
  32       H     0.19   -12.90     8.08      -2.39      -0.02   -12.92     16
  33       H     0.23   -11.98     8.06      -2.91      -0.02   -12.01     16
  34       H     0.16    -3.08     7.77      -2.91      -0.02    -3.10     16
  35       H     0.33     4.19     8.90     -74.06      -0.66     3.53     16
  36       H     0.33     4.16     8.90     -74.06      -0.66     3.50     16
  37       H     0.16    -3.02     7.77      -2.91      -0.02    -3.04     16
  38       H     0.23   -11.84     8.06      -2.91      -0.02   -11.86     16
  39       H     0.19    -5.23     8.06      -2.91      -0.02    -5.26     16
  40       H     0.10     1.67     7.65      -2.91      -0.02     1.65     16
 Total:          0.00  -185.68   351.37                 -4.20  -189.88