REAL300031910006.mol2 40                                                        
   1       O    -0.56   -14.80    15.97      -3.89      -0.06   -14.86     16
   2       C     0.56     9.69     7.77      86.79       0.67    10.36     16
   3       N    -0.69    -8.44     5.07    -442.89      -2.25   -10.68     16
   4       C     0.12     1.61     4.30      45.52       0.20     1.81     16
   5       H     0.11     1.64     7.50      -2.39      -0.02     1.62     16
   6       C    -0.17    -3.09     7.70      31.21       0.24    -2.85     16
   7       C     0.10     2.07     4.33      45.61       0.20     2.26     16
   8       H     0.09     2.30     7.46      -2.38      -0.02     2.28     16
   9       N    -0.68   -17.42     5.14    -442.78      -2.27   -19.69     16
  10       C     0.60    24.99     7.81      86.69       0.68    25.66     16
  11       O    -0.55   -29.11    15.32      13.48       0.21   -28.91     16
  12       C    -0.09    -3.96     6.69      41.98       0.28    -3.68     16
  13       N    -0.46   -14.01    10.83     -77.88      -0.84   -14.85     16
  14       S     0.54    16.32    24.20     -56.49      -1.37    14.96     16
  15       N    -0.65   -32.65    12.18    -177.20      -2.16   -34.81     16
  16       C     0.35    20.18     8.19      85.12       0.70    20.88     16
  17       O    -0.74   -52.93    17.64     -73.67      -1.30   -54.23     16
  18       C    -0.12    -1.24     7.58      31.12       0.24    -1.01     16
  19       C    -0.08    -0.95     5.87     -20.09      -0.12    -1.06     16
  20       C    -0.06    -0.08     9.54      22.59       0.22     0.14     16
  21       C    -0.02     0.06    10.02      22.21       0.22     0.29     16
  22       C    -0.08    -0.33     6.31     -19.60      -0.12    -0.46     16
  23       C     0.27     5.50    10.26      22.74       0.23     5.73     16
  24       C    -0.08    -1.66     9.64      22.70       0.22    -1.45     16
  25       O    -1.00   -56.74    18.54    -128.57      -2.38   -59.12     16
  26       O    -0.41   -10.59    15.05    -128.57      -1.93   -12.52     16
  27       C     0.08     0.19     7.74      71.19       0.55     0.75     16
  28       H     0.41     3.04     4.20     -92.71      -0.39     2.65     16
  29       H     0.12     1.87     8.14      -2.39      -0.02     1.85     16
  30       H     0.05     1.31     8.14      -2.39      -0.02     1.29     16
  31       H     0.41     7.16     5.64     -92.71      -0.52     6.64     16
  32       H     0.10     0.72     8.14      -2.39      -0.02     0.70     16
  33       H     0.14     0.83     8.14      -2.39      -0.02     0.81     16
  34       H     0.20    -0.75     6.39      -2.91      -0.02    -0.77     16
  35       H     0.25    -3.97     8.06      -2.91      -0.02    -3.99     16
  36       H     0.15     4.05     7.65      -2.91      -0.02     4.03     16
  37       H     0.28    15.23     9.30     -74.05      -0.69    14.54     16
  38       H     0.24    -1.73     8.14      -2.39      -0.02    -1.75     16
  39       H     0.25    -2.08     8.14      -2.38      -0.02    -2.10     16
 Total:         -1.00  -137.76   358.73                -11.78  -149.54