REAL300019783851.mol2 39                                                        
   1       O    -0.45   -12.63    10.73      -8.76      -0.09   -12.72     16
   2       C     0.50    10.57     7.46     -10.99      -0.08    10.49     16
   3       C    -0.15    -2.29     3.74     -27.88      -0.10    -2.40     16
   4       C     0.12     2.08     3.12     -27.97      -0.09     1.99     16
   5       O    -0.34    -7.52    13.93     -63.49      -0.88    -8.41     16
   6       O    -0.59   -12.10    18.54     -56.57      -1.05   -13.15     16
   7       C     0.22     2.85    10.28     -38.81      -0.40     2.45     16
   8       C    -0.12    -1.01    10.09     -39.33      -0.40    -1.40     16
   9       C    -0.09    -0.40    10.04     -39.59      -0.40    -0.80     16
  10       C    -0.11    -0.48    10.04     -39.48      -0.40    -0.87     16
  11       C    -0.10    -0.64    10.04     -39.63      -0.40    -1.04     16
  12       C    -0.07    -0.83     5.56    -104.36      -0.58    -1.41     16
  13       N    -0.62   -11.59     2.79    -167.33      -0.47   -12.05     16
  14       C     0.11     1.39     6.12      -3.99      -0.02     1.36     16
  15       C    -0.10    -1.21     6.66      37.28       0.25    -0.96     16
  16       S    -0.27    -4.18    22.29    -107.50      -2.40    -6.57     16
  17       C    -0.07    -1.41     5.80      37.28       0.22    -1.19     16
  18       C     0.27     5.86     3.26     -69.03      -0.22     5.64     16
  19       C     0.08     2.38     4.40    -156.72      -0.69     1.69     16
  20       N    -0.36   -11.66    10.55      32.44       0.34   -11.32     16
  21       N    -0.19    -6.61    13.37      60.35       0.81    -5.80     16
  22       N    -0.20    -6.95    13.47      60.35       0.81    -6.14     16
  23       N    -0.39   -12.51    12.24      32.44       0.40   -12.12     16
  24       H     0.09     0.96     7.43     -51.93      -0.39     0.57     16
  25       H     0.09     1.29     8.08     -51.93      -0.42     0.87     16
  26       H     0.10     1.88     7.95     -51.93      -0.41     1.46     16
  27       H     0.35     6.71     9.30      45.56       0.42     7.14     16
  28       H     0.16     1.11     8.06     -52.49      -0.42     0.69     16
  29       H     0.16     0.21     8.06     -52.48      -0.42    -0.21     16
  30       H     0.15     0.19     8.06     -52.49      -0.42    -0.24     16
  31       H     0.16     0.69     8.06     -52.49      -0.42     0.26     16
  32       H     0.09     0.83     5.76     -51.93      -0.30     0.53     16
  33       H     0.08     0.93     8.14     -51.93      -0.42     0.51     16
  34       H     0.09     1.08     8.14     -51.92      -0.42     0.66     16
  35       H     0.11     0.97     8.14     -51.93      -0.42     0.55     16
  36       H     0.11     2.19     8.14     -51.93      -0.42     1.76     16
  37       H     0.10     2.11     8.02     -51.93      -0.42     1.70     16
  38       H     0.09     1.86     8.14     -51.93      -0.42     1.43     16
 Total:         -1.00   -45.88   334.00                 -6.13   -52.01