REAL300033812647.mol2 41                                                        
   1       O    -0.52    -7.19    14.31       5.31       0.08    -7.11     16
   2       C     0.57     6.41     7.34     -12.33      -0.09     6.32     16
   3       N    -0.68    -6.81     5.10     -50.00      -0.25    -7.06     16
   4       C     0.14     1.43     0.81    -134.03      -0.11     1.32     16
   5       C     0.08     0.63     6.29      37.16       0.23     0.86     16
   6       O    -0.57    -4.15    13.55     -35.23      -0.48    -4.63     16
   7       C     0.13     1.51     7.05      -2.97      -0.02     1.49     16
   8       N    -0.64   -10.40     3.61    -179.40      -0.65   -11.04     16
   9       C     0.63    14.01     8.04     -12.48      -0.10    13.91     16
  10       O    -0.49   -13.22    16.45     -13.00      -0.21   -13.43     16
  11       C    -0.03    -0.68     6.68     -83.92      -0.56    -1.24     16
  12       N    -0.50    -9.58     9.33      24.03       0.22    -9.35     16
  13       S     0.44     8.18    24.20    -107.50      -2.60     5.58     16
  14       N    -0.58   -14.82    12.18      28.50       0.35   -14.48     16
  15       C     0.38    10.60     8.19     -17.49      -0.14    10.46     16
  16       O    -0.61   -20.52    17.64     -37.38      -0.66   -21.18     16
  17       C     0.12     1.53     7.69      -2.97      -0.02     1.51     16
  18       C    -0.10    -0.94     5.87    -104.97      -0.62    -1.56     16
  19       C    -0.07    -0.46     9.53     -39.09      -0.37    -0.84     16
  20       C    -0.10    -0.67    10.02     -39.68      -0.40    -1.07     16
  21       C    -0.06    -0.54     6.31    -104.21      -0.66    -1.20     16
  22       C     0.25     3.07    10.26     -38.85      -0.40     2.67     16
  23       C    -0.07    -0.76     9.64     -38.92      -0.38    -1.13     16
  24       O    -0.60   -11.01    18.54     -56.58      -1.05   -12.05     16
  25       O    -0.47    -8.17    15.05     -56.58      -0.85    -9.02     16
  26       C     0.09     1.04     7.74      35.94       0.28     1.32     16
  27       H     0.41     3.28     6.72     -40.82      -0.27     3.01     16
  28       H     0.06     0.58     7.19     -51.93      -0.37     0.20     16
  29       H     0.06     0.40     8.11     -51.93      -0.42    -0.03     16
  30       H     0.38     1.25     9.12      45.56       0.42     1.67     16
  31       H     0.10     1.15     7.26     -51.93      -0.38     0.78     16
  32       H     0.10     0.98     8.08     -51.93      -0.42     0.56     16
  33       H     0.10     1.03     8.10     -51.93      -0.42     0.61     16
  34       H     0.09     1.44     7.26     -51.93      -0.38     1.06     16
  35       H     0.15     0.64     6.40     -52.49      -0.34     0.30     16
  36       H     0.17     0.51     8.06     -52.49      -0.42     0.09     16
  37       H     0.18     2.02     7.65     -52.49      -0.40     1.62     16
  38       H     0.34     5.25     9.30      45.56       0.42     5.68     16
  39       H     0.07     0.63     8.14     -51.93      -0.42     0.21     16
  40       H     0.07     0.69     8.14     -51.93      -0.42     0.26     16
 Total:         -1.00   -41.65   370.96                 -7.70   -49.35