REAL300031665037.mol2 43                                                        
   1       O    -0.53    -9.48    15.71      -7.28      -0.11    -9.60     16
   2       C     0.53     7.32     7.74     -10.98      -0.08     7.24     16
   3       C    -0.15    -1.50     4.58     -27.88      -0.13    -1.63     16
   4       C     0.13     1.53     3.11     -27.97      -0.09     1.45     16
   5       O    -0.40    -6.71    14.02     -63.05      -0.88    -7.59     16
   6       O    -0.61   -10.34    18.54     -56.57      -1.05   -11.39     16
   7       C     0.24     2.27    10.28     -38.81      -0.40     1.87     16
   8       C    -0.12    -0.67    10.09     -39.33      -0.40    -1.07     16
   9       C    -0.08    -0.19    10.04     -39.59      -0.40    -0.59     16
  10       C    -0.11    -0.21    10.04     -39.48      -0.40    -0.61     16
  11       C    -0.10    -0.36    10.04     -39.63      -0.40    -0.75     16
  12       C    -0.08    -0.61     5.56    -104.36      -0.58    -1.19     16
  13       N    -0.62    -7.54     3.32    -170.38      -0.57    -8.11     16
  14       C     0.10     0.97     6.48      -3.06      -0.02     0.95     16
  15       C    -0.15    -1.71     6.64     -24.90      -0.17    -1.87     16
  16       C     0.14     1.95     3.33     -65.66      -0.22     1.73     16
  17       H     0.10     1.59     7.73     -51.93      -0.40     1.19     16
  18       N    -0.72   -12.15     5.23     -52.66      -0.28   -12.42     16
  19       C     0.61    13.81     7.81     -12.49      -0.10    13.71     16
  20       O    -0.50   -13.04    15.47     -13.01      -0.20   -13.25     16
  21       C    -0.04    -1.05     6.69     -83.92      -0.56    -1.61     16
  22       N    -0.50   -10.81    10.83      24.02       0.26   -10.55     16
  23       S     0.43     8.91    24.20    -107.50      -2.60     6.31     16
  24       N    -0.59   -16.02    12.18      28.50       0.35   -15.67     16
  25       C     0.38    11.25     8.19     -17.48      -0.14    11.11     16
  26       O    -0.63   -21.75    17.64     -37.36      -0.66   -22.41     16
  27       C     0.10     1.33     6.53      -2.41      -0.02     1.32     16
  28       H     0.10     0.60     8.14     -51.93      -0.42     0.18     16
  29       H     0.10     0.93     8.14     -51.93      -0.42     0.51     16
  30       H     0.10     1.14     7.91     -51.93      -0.41     0.73     16
  31       H     0.35     5.11     9.30      45.56       0.42     5.53     16
  32       H     0.16     0.70     8.06     -52.48      -0.42     0.28     16
  33       H     0.16    -0.12     8.06     -52.49      -0.42    -0.54     16
  34       H     0.15    -0.12     8.06     -52.49      -0.42    -0.54     16
  35       H     0.16     0.22     8.06     -52.48      -0.42    -0.20     16
  36       H     0.07     0.54     8.14     -51.93      -0.42     0.12     16
  37       H     0.07     0.56     8.14     -51.93      -0.42     0.14     16
  38       H     0.09     1.13     8.14     -51.93      -0.42     0.71     16
  39       H     0.08     0.95     8.14     -51.93      -0.42     0.53     16
  40       H     0.41     6.23     8.01     -40.82      -0.33     5.91     16
  41       H     0.07     0.93     8.01     -51.93      -0.42     0.51     16
  42       H     0.09     1.19     8.03     -51.93      -0.42     0.78     16
 Total:         -1.00   -43.19   384.35                 -9.82   -53.01