REAL300018422149.mol2 36                                                        
   1       O    -0.72   -39.06    17.77      17.20       0.31   -38.76     16
   2       C     0.53    24.23     8.02      69.88       0.56    24.79     16
   3       O    -0.72   -37.11    17.87      17.17       0.31   -36.80     16
   4       C    -0.33    -8.47     6.51      24.03       0.16    -8.31     16
   5       C     0.07     1.28    11.17      84.55       0.94     2.23     16
   6       N    -0.48    -1.50    10.50    -189.40      -1.99    -3.48     16
   7       C     0.03    -0.30     6.63      88.46       0.59     0.29     16
   8       C    -0.07     2.31     6.02      29.85       0.18     2.48     16
   9       C     0.01    -0.53     5.35      86.30       0.46    -0.07     16
  10       N    -0.49    29.58     1.74    -517.93      -0.90    28.67     16
  11       H     0.45   -30.31     8.66     -89.69      -0.78   -31.09     16
  12       H     0.44   -27.37     8.67     -89.69      -0.78   -28.15     16
  13       C     0.06    -3.20     5.50      85.56       0.47    -2.73     16
  14       C    -0.08     3.58     5.35     -19.90      -0.11     3.47     16
  15       C    -0.04     1.99     9.70      22.33       0.22     2.20     16
  16       C    -0.05     2.02    10.03      22.24       0.22     2.24     16
  17       C    -0.10     2.45     9.75      22.48       0.22     2.67     16
  18       C     0.30    -5.36     9.80      22.82       0.22    -5.13     16
  19       O    -0.74    -5.79    17.25    -127.47      -2.20    -7.99     16
  20       O    -0.76    -9.03    17.25    -127.47      -2.20   -11.23     16
  21       C    -0.08     2.76     9.40      22.48       0.21     2.97     16
  22       S     0.22     0.93    23.00     -56.49      -1.30    -0.37     16
  23       H     0.16     3.46     8.06      -2.91      -0.02     3.44     16
  24       H     0.13    -4.91     8.14      -2.39      -0.02    -4.93     16
  25       H     0.15    -6.16     8.14      -2.39      -0.02    -6.18     16
  26       H     0.16    -7.95     8.14      -2.39      -0.02    -7.97     16
  27       H     0.14    -6.27     8.14      -2.39      -0.02    -6.29     16
  28       H     0.16    -9.04     8.08      -2.39      -0.02    -9.06     16
  29       H     0.20   -12.58     8.08      -2.39      -0.02   -12.60     16
  30       H     0.23   -13.37     8.06      -2.91      -0.02   -13.39     16
  31       H     0.20    -8.41     8.06      -2.91      -0.02    -8.44     16
  32       H     0.16    -2.69     7.77      -2.91      -0.02    -2.71     16
  33       H     0.34     2.44     8.90     -74.06      -0.66     1.78     16
  34       H     0.33     3.34     8.90     -74.06      -0.66     2.68     16
  35       H     0.19    -5.95     7.77      -2.91      -0.02    -5.97     16
 Total:          0.00  -165.01   332.17                 -6.73  -171.75