REAL300024353061.mol2 34                                                        
   1       O    -0.49    -7.96    13.31       5.55       0.07    -7.88     16
   2       C     0.53     6.58     7.69     -10.98      -0.08     6.49     16
   3       C    -0.15    -2.11     5.67      36.01       0.20    -1.90     16
   4       S     0.07     1.32    21.45    -107.50      -2.31    -0.99     16
   5       C     0.20     5.20     8.33     -88.19      -0.73     4.46     16
   6       N    -0.40    -9.91    11.98      30.72       0.37    -9.54     16
   7       N    -0.58   -15.61     7.39      27.70       0.20   -15.40     16
   8       C     0.58    18.31     9.41     -86.79      -0.82    17.50     16
   9       O    -0.65   -22.09    18.06       5.07       0.09   -22.00     16
  10       N    -0.65   -20.09    11.63     -16.33      -0.19   -20.28     16
  11       N    -0.67    -5.18     5.34      -9.84      -0.05    -5.23     16
  12       C     0.19     1.56     6.30     -83.65      -0.53     1.03     16
  13       C    -0.14    -0.63     9.95     -39.31      -0.39    -1.02     16
  14       C    -0.06    -0.26     9.72     -39.63      -0.39    -0.64     16
  15       C    -0.10    -0.78     5.79    -104.31      -0.60    -1.38     16
  16       C    -0.10    -0.63     5.95     -28.21      -0.17    -0.80     16
  17       C     0.05     0.43     7.08      36.95       0.26     0.69     16
  18       O    -0.44    -6.69    14.34     -57.22      -0.82    -7.51     16
  19       O    -0.59   -10.85    17.84     -57.22      -1.02   -11.87     16
  20       C     0.25     2.98     9.43     -38.91      -0.37     2.61     16
  21       C    -0.12    -1.38     8.51     -39.17      -0.33    -1.71     16
  22       H     0.12     1.55     8.14     -51.92      -0.42     1.13     16
  23       H     0.12     1.54     8.14     -51.92      -0.42     1.12     16
  24       H     0.40     9.30     8.96    -182.55      -1.64     7.67     16
  25       H     0.42     1.65     8.82     -40.82      -0.36     1.29     16
  26       H     0.15     0.21     8.06     -52.48      -0.42    -0.21     16
  27       H     0.16     0.09     8.06     -52.48      -0.42    -0.34     16
  28       H     0.09     0.24     8.12     -51.93      -0.42    -0.18     16
  29       H     0.09     0.54     8.14     -51.93      -0.42     0.12     16
  30       H     0.06     0.49     8.14     -51.93      -0.42     0.07     16
  31       H     0.11     0.74     8.14     -51.93      -0.42     0.31     16
  32       H     0.34     5.27     9.26      45.56       0.42     5.70     16
  33       H     0.18     2.70     6.20     -52.49      -0.33     2.38     16
 Total:         -1.00   -43.45   313.37                 -8.16   -51.61