REAL300018422148.mol2 36                                                        
   1       O    -0.72   -38.50    17.77      17.16       0.30   -38.19     16
   2       C     0.53    23.85     8.02      69.88       0.56    24.41     16
   3       O    -0.72   -36.95    17.87      17.17       0.31   -36.64     16
   4       C    -0.33    -8.18     6.51      24.03       0.16    -8.02     16
   5       C     0.07     1.19    11.17      84.54       0.94     2.14     16
   6       N    -0.47    -0.42    10.50    -189.42      -1.99    -2.41     16
   7       C     0.03    -0.39     6.63      88.46       0.59     0.20     16
   8       C    -0.07     2.47     6.02      29.85       0.18     2.65     16
   9       C     0.01    -0.61     5.35      86.31       0.46    -0.15     16
  10       N    -0.49    31.26     1.74    -517.91      -0.90    30.36     16
  11       H     0.45   -30.32     8.67     -89.69      -0.78   -31.09     16
  12       H     0.45   -30.66     8.66     -89.70      -0.78   -31.44     16
  13       C     0.06    -3.41     5.50      85.56       0.47    -2.94     16
  14       C    -0.10     5.34     5.36     -19.80      -0.11     5.23     16
  15       C    -0.01     0.60     9.68      22.24       0.22     0.82     16
  16       C    -0.12     3.29     9.75      22.48       0.22     3.51     16
  17       C     0.33    -5.23     9.79      22.82       0.22    -5.00     16
  18       O    -0.75    -9.10    17.25    -127.47      -2.20   -11.30     16
  19       O    -0.75    -9.04    17.25    -127.47      -2.20   -11.24     16
  20       C    -0.12     3.28     9.75      22.49       0.22     3.50     16
  21       C    -0.01     0.64     9.68      22.24       0.22     0.86     16
  22       S     0.21     0.75    23.00     -56.49      -1.30    -0.54     16
  23       H     0.16     3.20     8.06      -2.91      -0.02     3.17     16
  24       H     0.14    -5.61     8.14      -2.39      -0.02    -5.63     16
  25       H     0.14    -6.07     8.14      -2.39      -0.02    -6.09     16
  26       H     0.15    -7.73     8.14      -2.39      -0.02    -7.75     16
  27       H     0.15    -7.26     8.14      -2.39      -0.02    -7.28     16
  28       H     0.18   -11.56     8.08      -2.39      -0.02   -11.58     16
  29       H     0.18   -11.29     8.08      -2.39      -0.02   -11.31     16
  30       H     0.23   -12.06     8.06      -2.91      -0.02   -12.09     16
  31       H     0.17    -3.45     7.77      -2.91      -0.02    -3.48     16
  32       H     0.33     3.47     8.90     -74.06      -0.66     2.81     16
  33       H     0.33     3.46     8.90     -74.06      -0.66     2.80     16
  34       H     0.16    -3.41     7.77      -2.91      -0.02    -3.43     16
  35       H     0.23   -11.86     8.06      -2.91      -0.02   -11.88     16
 Total:          0.00  -170.28   332.17                 -6.74  -177.01