REAL300034160001.mol2 41                                                        
   1       O    -0.53    -7.31    16.03       5.35       0.09    -7.22     16
   2       C     0.57     6.39     7.78     -12.22      -0.10     6.29     16
   3       N    -0.70    -6.77     5.17     -54.70      -0.28    -7.05     16
   4       C     0.12     1.04     4.14     -67.96      -0.28     0.76     16
   5       H     0.14     1.15     7.43     -51.93      -0.39     0.77     16
   6       C    -0.14    -1.00     6.35     -91.01      -0.58    -1.58     16
   7       H     0.13     0.59     8.14     -51.93      -0.42     0.17     16
   8       C    -0.16    -1.27     7.49     -28.74      -0.22    -1.49     16
   9       C     0.10     1.24     6.17     -69.88      -0.43     0.81     16
  10       H     0.13     1.71     8.14     -51.93      -0.42     1.29     16
  11       N    -0.61    -9.24     3.25    -164.51      -0.54    -9.77     16
  12       C     0.63    13.34     7.95     -12.48      -0.10    13.24     16
  13       O    -0.49   -12.69    16.26     -13.00      -0.21   -12.90     16
  14       C    -0.03    -0.58     6.66     -83.92      -0.56    -1.14     16
  15       N    -0.50    -9.14     9.11      24.02       0.22    -8.92     16
  16       S     0.45     8.11    24.20    -107.50      -2.60     5.51     16
  17       N    -0.58   -14.36    12.18      28.50       0.35   -14.01     16
  18       C     0.38    10.28     8.19     -17.49      -0.14    10.14     16
  19       O    -0.60   -19.74    17.64     -37.38      -0.66   -20.40     16
  20       C     0.13     1.38     5.11      -0.52       0.00     1.38     16
  21       C    -0.12    -1.21     5.88    -104.89      -0.62    -1.83     16
  22       C    -0.05    -0.46     9.53     -39.20      -0.37    -0.83     16
  23       C    -0.13    -1.27    10.08     -39.37      -0.40    -1.66     16
  24       C     0.27     3.61    10.27     -38.82      -0.40     3.21     16
  25       C    -0.09    -1.03     6.30    -104.38      -0.66    -1.69     16
  26       C    -0.04    -0.43     9.58     -39.23      -0.38    -0.81     16
  27       C     0.10     1.27     7.74      35.93       0.28     1.54     16
  28       O    -0.47    -8.78    15.05     -56.57      -0.85    -9.63     16
  29       O    -0.61   -11.76    18.54     -56.57      -1.05   -12.80     16
  30       H     0.40     3.32     5.55     -40.82      -0.23     3.10     16
  31       H     0.10     0.61     7.92     -51.93      -0.41     0.20     16
  32       H     0.08     0.78     8.09     -51.93      -0.42     0.36     16
  33       H     0.09     0.98     7.94     -51.93      -0.41     0.57     16
  34       H     0.08     0.75     7.24     -51.93      -0.38     0.38     16
  35       H     0.16     0.96     6.39     -52.49      -0.34     0.62     16
  36       H     0.17     1.44     8.06     -52.48      -0.42     1.02     16
  37       H     0.17     1.52     7.64     -52.48      -0.40     1.12     16
  38       H     0.07     0.80     8.14     -51.93      -0.42     0.37     16
  39       H     0.07     0.73     8.14     -51.93      -0.42     0.31     16
  40       H     0.34     5.56     9.30      45.56       0.42     5.98     16
 Total:         -1.00   -39.49   364.76                 -9.65   -49.13