REAL300018536106.mol2 37                                                        
   1       C    -0.10     2.82     9.46      71.24       0.67     3.50     16
   2       C    -0.16     2.53     6.28      24.72       0.16     2.69     16
   3       C    -0.17     3.25     5.25     -21.07      -0.11     3.14     16
   4       C     0.09    -3.83     5.20      85.56       0.44    -3.38     16
   5       N    -0.51    26.14     1.74    -521.99      -0.91    25.23     16
   6       H     0.44   -24.99     7.40     -89.69      -0.66   -25.65     16
   7       H     0.43   -20.89     8.66     -89.70      -0.78   -21.66     16
   8       C     0.06    -3.07     5.50      85.56       0.47    -2.60     16
   9       C    -0.08     3.46     5.35     -19.90      -0.11     3.35     16
  10       C    -0.04     1.80     9.70      22.33       0.22     2.02     16
  11       C    -0.05     1.88    10.03      22.24       0.22     2.10     16
  12       C    -0.10     2.12     9.75      22.48       0.22     2.34     16
  13       C     0.30    -3.97     9.80      22.83       0.22    -3.75     16
  14       O    -0.74    -9.92    17.25    -127.47      -2.20   -12.12     16
  15       O    -0.76   -11.95    17.25    -127.47      -2.20   -14.15     16
  16       C    -0.09     2.50     9.40      22.49       0.21     2.71     16
  17       C    -0.06    -0.15     9.70      21.74       0.21     0.06     16
  18       C    -0.32    -6.81     6.27      22.84       0.14    -6.67     16
  19       C     0.51    22.72     7.85      68.69       0.54    23.26     16
  20       O    -0.73   -37.41    17.63      17.09       0.30   -37.11     16
  21       O    -0.74   -39.80    17.73      17.09       0.30   -39.50     16
  22       S     0.19     1.46    22.73     -56.49      -1.28     0.18     16
  23       H     0.06    -1.35     8.11      -2.39      -0.02    -1.37     16
  24       H     0.13    -5.75     6.95      -2.38      -0.02    -5.77     16
  25       H     0.12    -4.33     7.98      -2.39      -0.02    -4.35     16
  26       H     0.16    -6.68     8.08      -2.39      -0.02    -6.70     16
  27       H     0.19    -9.96     7.66      -2.39      -0.02    -9.98     16
  28       H     0.16    -8.96     8.08      -2.39      -0.02    -8.98     16
  29       H     0.22   -13.89     8.08      -2.39      -0.02   -13.91     16
  30       H     0.24   -13.75     8.06      -2.91      -0.02   -13.78     16
  31       H     0.21    -8.30     8.06      -2.91      -0.02    -8.32     16
  32       H     0.16    -2.23     7.77      -2.91      -0.02    -2.25     16
  33       H     0.33     4.18     8.90     -74.06      -0.66     3.52     16
  34       H     0.33     4.62     8.90     -74.06      -0.66     3.96     16
  35       H     0.18    -4.67     7.77      -2.91      -0.02    -4.69     16
  36       H     0.14     0.44     8.02      -2.91      -0.02     0.42     16
 Total:          0.00  -162.75   332.36                 -5.47  -168.22