REAL300018664045.mol2 35                                                        
   1       C    -0.17    -1.84     9.14      71.98       0.66    -1.19     16
   2       C     0.17     2.88     3.09      44.17       0.14     3.02     16
   3       N    -0.69    -5.88     6.01    -499.46      -3.00    -8.88     16
   4       C     0.10     0.14     5.60      85.56       0.48     0.62     16
   5       C    -0.06    -0.08     5.40     -19.80      -0.11    -0.18     16
   6       C    -0.04    -0.17     9.68      22.24       0.22     0.04     16
   7       C    -0.11    -1.27     9.75      22.48       0.22    -1.05     16
   8       C     0.32     5.26     9.80      22.82       0.22     5.48     16
   9       O    -0.75   -27.19    17.25    -127.47      -2.20   -29.39     16
  10       O    -0.74   -25.34    17.25    -127.47      -2.20   -27.54     16
  11       C    -0.10    -0.76     9.75      22.48       0.22    -0.54     16
  12       C    -0.03     0.03     9.68      22.24       0.22     0.25     16
  13       C     0.02     0.64     6.26      88.60       0.55     1.19     16
  14       N    -0.47   -22.12    10.56    -180.36      -1.90   -24.02     16
  15       C    -0.03    -1.88     6.74      40.69       0.27    -1.60     16
  16       C     0.53    37.69     8.03      70.07       0.56    38.26     16
  17       O    -0.71   -55.05    17.92      17.46       0.31   -54.74     16
  18       O    -0.72   -53.79    17.63      17.43       0.31   -53.48     16
  19       C    -0.27   -11.69    10.69      67.41       0.72   -10.97     16
  20       S     0.28     7.52    22.66     -56.49      -1.28     6.24     16
  21       H     0.08     0.63     8.13      -2.39      -0.02     0.61     16
  22       H     0.11     0.29     7.45      -2.39      -0.02     0.27     16
  23       H     0.05     0.83     8.14      -2.38      -0.02     0.81     16
  24       H     0.11     1.95     7.80      -2.39      -0.02     1.93     16
  25       H     0.36     1.48     8.46     -89.69      -0.76     0.72     16
  26       H     0.10    -0.42     7.38      -2.39      -0.02    -0.44     16
  27       H     0.10     0.27     8.00      -2.39      -0.02     0.25     16
  28       H     0.19     0.41     8.06      -2.91      -0.02     0.38     16
  29       H     0.17     2.33     7.77      -2.91      -0.02     2.31     16
  30       H     0.33    10.52     8.90     -74.06      -0.66     9.86     16
  31       H     0.33    10.06     8.90     -74.05      -0.66     9.40     16
  32       H     0.18     1.41     7.77      -2.91      -0.02     1.38     16
  33       H     0.22    -2.04     8.06      -2.90      -0.02    -2.06     16
  34       H     0.17     7.36     8.05      -2.91      -0.02     7.34     16
 Total:         -1.00  -117.83   325.77                 -7.89  -125.72