REAL300018113896.mol2 35                                                        
   1       C    -0.17    -1.65     9.14      71.98       0.66    -0.99     16
   2       C     0.17     2.33     3.08      44.17       0.14     2.47     16
   3       N    -0.69    -6.56     6.19    -499.46      -3.09    -9.65     16
   4       C     0.10     0.04     5.60      85.56       0.48     0.52     16
   5       C    -0.06    -0.12     5.40     -19.80      -0.11    -0.22     16
   6       C    -0.03    -0.17     9.68      22.24       0.22     0.05     16
   7       C    -0.11    -1.36     9.75      22.48       0.22    -1.14     16
   8       C     0.32     5.70     9.80      22.82       0.22     5.93     16
   9       O    -0.75   -27.84    17.25    -127.47      -2.20   -30.04     16
  10       O    -0.75   -26.62    17.25    -127.47      -2.20   -28.82     16
  11       C    -0.11    -1.00     9.75      22.48       0.22    -0.78     16
  12       C    -0.04    -0.04     9.68      22.24       0.22     0.17     16
  13       C     0.05     1.44     6.24      88.46       0.55     1.99     16
  14       N    -0.47   -16.34    10.45    -189.40      -1.98   -18.32     16
  15       C     0.07     3.30    11.17      84.55       0.94     4.24     16
  16       C    -0.33   -16.86     6.51      24.03       0.16   -16.70     16
  17       C     0.54    36.08     8.02      69.88       0.56    36.64     16
  18       O    -0.72   -52.16    17.77      17.19       0.31   -51.85     16
  19       O    -0.72   -51.75    17.87      17.17       0.31   -51.45     16
  20       S     0.19     6.91    22.99     -56.49      -1.30     5.61     16
  21       H     0.11     0.16     7.45      -2.39      -0.02     0.14     16
  22       H     0.06     0.74     8.14      -2.38      -0.02     0.72     16
  23       H     0.06     0.73     8.13      -2.39      -0.02     0.71     16
  24       H     0.13     1.07     7.80      -2.39      -0.02     1.05     16
  25       H     0.36     3.40     8.46     -89.69      -0.76     2.64     16
  26       H     0.09    -0.49     7.38      -2.39      -0.02    -0.50     16
  27       H     0.11    -0.15     8.00      -2.39      -0.02    -0.17     16
  28       H     0.20     0.17     8.06      -2.91      -0.02     0.14     16
  29       H     0.17     2.42     7.77      -2.91      -0.02     2.40     16
  30       H     0.33    10.82     8.90     -74.06      -0.66    10.16     16
  31       H     0.33    10.52     8.90     -74.05      -0.66     9.86     16
  32       H     0.18     1.81     7.77      -2.91      -0.02     1.79     16
  33       H     0.21    -1.44     8.06      -2.90      -0.02    -1.46     16
  34       H     0.17     7.55     8.06      -2.91      -0.02     7.53     16
 Total:         -1.00  -109.36   326.48                 -7.99  -117.35