REAL300018009596.mol2 42                                                        
   1       O    -0.63    -7.62    18.00     -20.23      -0.36    -7.99     16
   2       C     0.50     2.72     6.08      36.01       0.22     2.94     16
   3       O    -0.66    -5.12    16.47     -20.22      -0.33    -5.45     16
   4       C     0.00     0.00     2.52     -70.01      -0.18    -0.18     16
   5       N    -0.49     5.40     1.28    -110.46      -0.14     5.26     16
   6       H     0.41    -6.48     8.59     -39.29      -0.34    -6.82     16
   7       H     0.43    -4.66     6.48     -39.29      -0.25    -4.92     16
   8       C     0.05    -0.53     5.21      -4.98      -0.03    -0.56     16
   9       C    -0.14     1.58     5.36    -104.52      -0.56     1.02     16
  10       C    -0.05     0.60     9.68     -39.63      -0.38     0.22     16
  11       C    -0.11     0.75     9.75     -39.25      -0.38     0.37     16
  12       C     0.33    -1.05     9.80     -38.72      -0.38    -1.43     16
  13       O    -0.65    -3.40    17.25     -57.73      -1.00    -4.39     16
  14       O    -0.65    -3.27    17.25     -57.73      -1.00    -4.26     16
  15       C    -0.11     0.61     9.75     -39.25      -0.38     0.23     16
  16       C    -0.04     0.40     9.68     -39.63      -0.38     0.02     16
  17       C    -0.14     0.35     4.84    -104.56      -0.51    -0.16     16
  18       C    -0.08     0.22     9.29     -39.67      -0.37    -0.15     16
  19       C    -0.13     0.12    10.06     -39.30      -0.40    -0.28     16
  20       C     0.12     0.07     7.04     -38.92      -0.27    -0.20     16
  21       O    -0.30    -0.36    11.10     -20.17      -0.22    -0.58     16
  22       C     0.05    -0.12     8.01      38.06       0.30     0.19     16
  23       C    -0.11     0.27     7.11     -26.51      -0.19     0.08     16
  24       C    -0.17     0.08     6.27    -104.09      -0.65    -0.57     16
  25       C    -0.04     0.05     9.66     -39.75      -0.38    -0.33     16
  26       H     0.14    -0.89     7.96     -51.93      -0.41    -1.30     16
  27       H     0.16    -1.21     6.67     -51.93      -0.35    -1.56     16
  28       H     0.14    -1.96     8.05     -51.93      -0.42    -2.38     16
  29       H     0.17    -2.48     8.06     -52.49      -0.42    -2.90     16
  30       H     0.18    -1.11     7.77     -52.48      -0.41    -1.52     16
  31       H     0.34     0.99     8.90      45.56       0.41     1.40     16
  32       H     0.34     0.95     8.90      45.56       0.41     1.35     16
  33       H     0.18    -0.87     7.77     -52.49      -0.41    -1.28     16
  34       H     0.18    -1.76     8.06     -52.49      -0.42    -2.18     16
  35       H     0.13    -0.74     6.74     -52.49      -0.35    -1.09     16
  36       H     0.14    -0.28     8.06     -52.49      -0.42    -0.71     16
  37       H     0.08    -0.31     8.14     -51.93      -0.42    -0.73     16
  38       H     0.11    -0.43     8.14     -51.93      -0.42    -0.85     16
  39       H     0.10    -0.21     8.14     -51.93      -0.42    -0.64     16
  40       H     0.10    -0.42     8.14     -51.93      -0.42    -0.84     16
  41       H     0.13    -0.35     8.04     -52.48      -0.42    -0.77     16
 Total:          0.00   -30.48   354.09                 -8.15   -38.63