REAL300031904470.mol2 43                                                        
   1       O    -0.52    -9.37    15.36      -8.76      -0.13    -9.51     16
   2       C     0.52     7.31     7.71     -10.99      -0.08     7.23     16
   3       C    -0.16    -1.84     5.40     -27.88      -0.15    -1.99     16
   4       C     0.14     1.81     3.12     -27.97      -0.09     1.73     16
   5       O    -0.41    -7.64    13.93     -63.49      -0.88    -8.53     16
   6       O    -0.63   -12.18    18.54     -56.57      -1.05   -13.23     16
   7       C     0.24     2.83    10.28     -38.81      -0.40     2.43     16
   8       C    -0.13    -0.95    10.09     -39.33      -0.40    -1.35     16
   9       C    -0.08    -0.37    10.04     -39.59      -0.40    -0.76     16
  10       C    -0.11    -0.42    10.04     -39.48      -0.40    -0.82     16
  11       C    -0.10    -0.54    10.04     -39.63      -0.40    -0.94     16
  12       C    -0.08    -0.79     5.57    -104.36      -0.58    -1.37     16
  13       N    -0.72    -8.72     4.34     -53.02      -0.23    -8.95     16
  14       C     0.12     1.48     4.00     -67.12      -0.27     1.21     16
  15       H     0.09     1.10     8.04     -51.93      -0.42     0.68     16
  16       C    -0.16    -1.99     7.62     -25.92      -0.20    -2.18     16
  17       C     0.12     1.78     4.28     -67.12      -0.29     1.49     16
  18       H     0.10     1.63     7.54     -51.92      -0.39     1.24     16
  19       N    -0.71   -12.33     4.96     -54.06      -0.27   -12.60     16
  20       C     0.60    13.76     7.81     -12.48      -0.10    13.66     16
  21       O    -0.50   -13.12    15.36     -13.01      -0.20   -13.32     16
  22       C    -0.03    -0.83     6.69     -83.92      -0.56    -1.39     16
  23       N    -0.50   -10.53    10.83      24.02       0.26   -10.27     16
  24       S     0.45     8.94    24.20    -107.50      -2.60     6.34     16
  25       N    -0.58   -15.39    12.18      28.49       0.35   -15.04     16
  26       C     0.38    10.91     8.19     -17.49      -0.14    10.77     16
  27       O    -0.61   -20.79    17.64     -37.37      -0.66   -21.45     16
  28       C    -0.16    -1.79     7.57     -25.92      -0.20    -1.99     16
  29       H     0.10     0.72     8.14     -51.93      -0.42     0.29     16
  30       H     0.10     1.22     8.14     -51.93      -0.42     0.80     16
  31       H     0.09     1.15     7.95     -51.93      -0.41     0.73     16
  32       H     0.34     5.96     9.30      45.56       0.42     6.38     16
  33       H     0.16     1.07     8.06     -52.49      -0.42     0.64     16
  34       H     0.16     0.18     8.06     -52.48      -0.42    -0.24     16
  35       H     0.15     0.14     8.06     -52.49      -0.42    -0.28     16
  36       H     0.16     0.46     8.06     -52.48      -0.42     0.04     16
  37       H     0.40     4.43     7.83     -40.82      -0.32     4.11     16
  38       H     0.08     1.17     8.14     -51.93      -0.42     0.75     16
  39       H     0.10     1.10     8.14     -51.93      -0.42     0.68     16
  40       H     0.40     6.57     6.68     -40.82      -0.27     6.30     16
  41       H     0.11     1.00     8.14     -51.93      -0.42     0.57     16
  42       H     0.08     0.95     8.13     -51.93      -0.42     0.53     16
 Total:         -1.00   -41.92   384.17                 -9.89   -51.81