REAL300032131296.mol2 42                                                        
   1       C     0.09     1.40     9.19      59.85       0.55     1.95     16
   2       N    -0.61   -10.95     2.87    -182.82      -0.53   -11.48     16
   3       C     0.11     1.59     5.46      -4.04      -0.02     1.57     16
   4       C     0.10     1.55     6.00      -4.05      -0.02     1.53     16
   5       N    -0.73    -8.98     5.56     -60.30      -0.33    -9.31     16
   6       C     0.52     7.49     7.71     -10.98      -0.08     7.40     16
   7       O    -0.52   -10.36    15.42      -8.76      -0.14   -10.50     16
   8       C    -0.16    -1.60     5.40     -27.88      -0.15    -1.75     16
   9       C     0.13     1.64     3.12     -27.97      -0.09     1.55     16
  10       O    -0.39    -7.00    13.93     -63.49      -0.88    -7.89     16
  11       O    -0.62   -10.99    18.54     -56.57      -1.05   -12.04     16
  12       C     0.24     2.42    10.28     -38.81      -0.40     2.02     16
  13       C    -0.13    -0.75    10.09     -39.33      -0.40    -1.15     16
  14       C    -0.08    -0.24    10.04     -39.59      -0.40    -0.64     16
  15       C    -0.11    -0.28    10.04     -39.48      -0.40    -0.67     16
  16       C    -0.10    -0.42    10.04     -39.63      -0.40    -0.82     16
  17       C    -0.08    -0.67     5.57    -104.35      -0.58    -1.25     16
  18       C     0.60    14.27     7.64     -12.48      -0.10    14.18     16
  19       O    -0.50   -13.53    15.38     -12.84      -0.20   -13.73     16
  20       C    -0.04    -0.98     6.45     -83.92      -0.54    -1.52     16
  21       N    -0.49   -10.53     7.63      24.03       0.18   -10.34     16
  22       S     0.42     8.65    24.20    -107.50      -2.60     6.05     16
  23       N    -0.59   -16.06    12.18      28.50       0.35   -15.71     16
  24       C     0.38    11.38     8.18     -17.49      -0.14    11.24     16
  25       O    -0.63   -21.96    17.66     -37.22      -0.66   -22.62     16
  26       H     0.06     0.80     8.08     -51.93      -0.42     0.38     16
  27       H     0.09     1.51     5.83     -51.93      -0.30     1.21     16
  28       H     0.06     0.70     8.03     -51.93      -0.42     0.28     16
  29       H     0.08     0.84     8.07     -51.93      -0.42     0.42     16
  30       H     0.09     1.29     7.50     -51.93      -0.39     0.90     16
  31       H     0.08     1.44     8.14     -51.93      -0.42     1.01     16
  32       H     0.07     1.07     8.14     -51.93      -0.42     0.64     16
  33       H     0.40     3.33     8.47     -40.82      -0.35     2.99     16
  34       H     0.10     0.90     8.14     -51.93      -0.42     0.48     16
  35       H     0.10     0.62     8.14     -51.93      -0.42     0.20     16
  36       H     0.10     1.26     7.95     -51.93      -0.41     0.85     16
  37       H     0.34     5.40     9.30      45.56       0.42     5.82     16
  38       H     0.16     0.80     8.06     -52.49      -0.42     0.38     16
  39       H     0.16    -0.04     8.06     -52.48      -0.42    -0.46     16
  40       H     0.15    -0.04     8.06     -52.49      -0.42    -0.46     16
  41       H     0.16     0.34     8.06     -52.48      -0.42    -0.09     16
 Total:         -1.00   -44.70   376.61                 -9.01   -53.71