REAL300009850830.mol2 39                                                        
   1       O    -0.71   -50.56    17.40      25.16       0.44   -50.12     16
   2       C     0.48    30.46     8.13      71.24       0.58    31.04     16
   3       O    -0.72   -50.61    18.00      19.03       0.34   -50.27     16
   4       C     0.02     0.86     5.29      71.24       0.38     1.23     16
   5       O    -0.31   -13.35     9.66     -71.34      -0.69   -14.03     16
   6       C     0.13     4.04     6.70      22.63       0.15     4.19     16
   7       C    -0.22    -5.81     9.01      22.33       0.20    -5.61     16
   8       C    -0.02    -0.46     9.73      22.51       0.22    -0.24     16
   9       C    -0.18    -3.13     5.00     -20.08      -0.10    -3.23     16
  10       C     0.58     9.84     7.22      86.71       0.63    10.46     16
  11       O    -0.56   -14.66    16.47      -3.97      -0.07   -14.72     16
  12       N    -0.59    -4.90     2.98    -823.40      -2.45    -7.35     16
  13       C     0.06     0.00     5.34      86.22       0.46     0.46     16
  14       C    -0.10     0.34     6.06      30.53       0.19     0.52     16
  15       C    -0.16    -0.41     4.65      30.62       0.14    -0.27     16
  16       C     0.39     4.02     5.91      30.67       0.18     4.20     16
  17       O    -0.79   -26.83    17.67    -127.47      -2.25   -29.08     16
  18       O    -0.75   -21.72    16.79    -127.47      -2.14   -23.86     16
  19       C     0.07     0.74     6.29      86.36       0.54     1.28     16
  20       C    -0.03    -0.39     7.35      22.51       0.17    -0.22     16
  21       C    -0.16    -3.53     9.97      22.33       0.22    -3.31     16
  22       H     0.09     3.65     7.66      -2.39      -0.02     3.63     16
  23       H     0.09     3.52     7.64      -2.38      -0.02     3.51     16
  24       H     0.14     3.53     6.28      -2.91      -0.02     3.52     16
  25       H     0.14     2.60     8.06      -2.91      -0.02     2.57     16
  26       H     0.13     0.10     4.57      -2.39      -0.01     0.09     16
  27       H     0.12    -0.56     8.14      -2.39      -0.02    -0.58     16
  28       H     0.16    -1.30     8.14      -2.39      -0.02    -1.32     16
  29       H     0.10    -0.36     8.14      -2.39      -0.02    -0.38     16
  30       H     0.12     0.36     8.14      -2.39      -0.02     0.34     16
  31       H     0.12     0.44     8.13      -2.39      -0.02     0.42     16
  32       H     0.17     0.94     8.14      -2.39      -0.02     0.92     16
  33       H     0.32    10.06     8.90     -74.05      -0.66     9.40     16
  34       H     0.33     8.93     8.90     -74.05      -0.66     8.27     16
  35       H     0.12     1.12     8.14      -2.39      -0.02     1.10     16
  36       H     0.11     1.93     7.02      -2.38      -0.02     1.92     16
  37       H     0.18     0.97     7.08      -2.91      -0.02     0.95     16
  38       H     0.15     3.03     8.06      -2.91      -0.02     3.01     16
 Total:         -1.00  -107.12   326.77                 -4.47  -111.59