REAL300018346598.mol2 41                                                        
   1       C     0.03    -0.02     9.81     101.05       0.99     0.97     16
   2       O    -0.31    -0.96    10.50     -19.43      -0.20    -1.16     16
   3       C     0.14     0.41     6.69     -39.22      -0.26     0.15     16
   4       C    -0.20    -0.20     9.04     -39.44      -0.36    -0.56     16
   5       C    -0.07     0.00    10.04     -39.60      -0.40    -0.40     16
   6       C    -0.16     0.02     9.30     -39.56      -0.37    -0.35     16
   7       C    -0.06    -0.09     4.83    -104.65      -0.50    -0.59     16
   8       C    -0.01     0.00     2.52     -70.02      -0.18    -0.18     16
   9       N    -0.48     2.82     1.26    -110.46      -0.14     2.68     16
  10       H     0.42    -3.14     8.52     -39.29      -0.33    -3.48     16
  11       H     0.42    -2.95     6.47     -39.29      -0.25    -3.20     16
  12       C     0.04    -0.25     4.89      -4.98      -0.02    -0.27     16
  13       C    -0.14     1.10     5.36    -104.29      -0.56     0.54     16
  14       C    -0.05     0.41     9.66     -39.63      -0.38     0.03     16
  15       C    -0.11     1.01    10.04     -39.48      -0.40     0.61     16
  16       C    -0.06     0.57    10.03     -39.63      -0.40     0.17     16
  17       C    -0.12     0.97     9.88     -39.25      -0.39     0.58     16
  18       C     0.17    -1.13     8.81     -38.73      -0.34    -1.47     16
  19       O    -0.51    -0.33    17.89     -57.73      -1.03    -1.37     16
  20       O    -0.54    -0.46    16.98     -57.73      -0.98    -1.44     16
  21       C     0.50     4.02     6.42      36.01       0.23     4.25     16
  22       O    -0.62    -9.05    18.00     -20.23      -0.36    -9.42     16
  23       O    -0.67    -6.04    15.74     -20.23      -0.32    -6.36     16
  24       C    -0.12    -0.37     9.61     -39.43      -0.38    -0.75     16
  25       H     0.06    -0.12     7.66     -51.93      -0.40    -0.52     16
  26       H     0.10    -0.23     8.14     -51.93      -0.42    -0.65     16
  27       H     0.06    -0.09     7.66     -51.93      -0.40    -0.48     16
  28       H     0.13    -0.14     6.30     -52.49      -0.33    -0.47     16
  29       H     0.13    -0.32     8.06     -52.49      -0.42    -0.75     16
  30       H     0.12    -0.36     6.75     -52.49      -0.35    -0.72     16
  31       H     0.14    -0.14     7.96     -51.93      -0.41    -0.56     16
  32       H     0.16    -0.74     6.07     -51.93      -0.32    -1.06     16
  33       H     0.14    -1.02     5.00     -51.92      -0.26    -1.28     16
  34       H     0.17    -1.51     7.99     -52.49      -0.42    -1.93     16
  35       H     0.16    -1.69     8.06     -52.49      -0.42    -2.12     16
  36       H     0.16    -1.86     8.06     -52.49      -0.42    -2.28     16
  37       H     0.17    -1.53     8.06     -52.49      -0.42    -1.95     16
  38       H     0.33    -1.46     8.83      45.56       0.40    -1.06     16
  39       H     0.32    -1.12     6.60      45.56       0.30    -0.82     16
  40       H     0.14     0.41     8.03     -52.49      -0.42    -0.01     16
 Total:          0.00   -25.60   341.53                 -6.91   -32.51