REAL300032233155.mol2 43                                                        
   1       O    -0.59   -21.32    16.18       9.25       0.15   -21.17     16
   2       C     0.53    13.29     7.95      87.66       0.70    13.98     16
   3       C    -0.14    -2.25     5.13      29.85       0.15    -2.09     16
   4       C     0.11     2.35     3.12      29.79       0.09     2.44     16
   5       O    -0.47   -17.03    14.02    -122.39      -1.72   -18.74     16
   6       O    -0.78   -33.37    18.54    -128.58      -2.38   -35.76     16
   7       C     0.26     4.03    10.28      22.77       0.23     4.26     16
   8       C    -0.12    -0.49    10.09      22.43       0.23    -0.27     16
   9       C    -0.05     0.33    10.04      22.27       0.22     0.55     16
  10       C    -0.07     0.67    10.04      22.34       0.22     0.89     16
  11       C    -0.06     0.25    10.03      22.24       0.22     0.48     16
  12       C    -0.08    -0.70     5.56     -19.69      -0.11    -0.81     16
  13       N    -0.65   -12.83     3.61    -836.55      -3.02   -15.85     16
  14       C     0.11     2.05     8.40      86.48       0.73     2.78     16
  15       C    -0.11    -1.69     3.94     -10.12      -0.04    -1.73     16
  16       C     0.13     3.10     5.53      86.38       0.48     3.57     16
  17       N    -0.70   -21.16     5.55    -466.30      -2.59   -23.75     16
  18       C     0.60    27.91     7.81      86.69       0.68    28.59     16
  19       O    -0.56   -31.57    15.72      13.48       0.21   -31.35     16
  20       C    -0.08    -4.23     6.69      41.98       0.28    -3.95     16
  21       N    -0.47   -18.69    10.83     -77.93      -0.84   -19.53     16
  22       S     0.52    20.09    24.20     -56.49      -1.37    18.73     16
  23       N    -0.65   -36.06    12.18    -177.23      -2.16   -38.22     16
  24       C     0.35    22.12     8.19      85.12       0.70    22.81     16
  25       O    -0.73   -55.52    17.64     -73.66      -1.30   -56.82     16
  26       C     0.11     1.40     8.17      86.49       0.71     2.11     16
  27       H     0.10     1.61     8.14      -2.39      -0.02     1.59     16
  28       H     0.15     0.61     8.13      -2.39      -0.02     0.59     16
  29       H     0.11     2.20     7.91      -2.39      -0.02     2.19     16
  30       H     0.33    13.50     9.30     -74.06      -0.69    12.81     16
  31       H     0.18     0.68     8.06      -2.91      -0.02     0.66     16
  32       H     0.22    -3.29     8.06      -2.91      -0.02    -3.31     16
  33       H     0.21    -3.86     8.06      -2.91      -0.02    -3.88     16
  34       H     0.21    -2.35     8.06      -2.91      -0.02    -2.37     16
  35       H     0.08     1.64     8.14      -2.39      -0.02     1.62     16
  36       H     0.09     1.71     8.10      -2.39      -0.02     1.69     16
  37       H     0.13     1.57     8.14      -2.39      -0.02     1.55     16
  38       H     0.07     1.75     8.14      -2.38      -0.02     1.73     16
  39       H     0.07     1.74     7.83      -2.39      -0.02     1.72     16
  40       H     0.42    10.10     7.96     -92.71      -0.74     9.36     16
  41       H     0.09     1.27     7.89      -2.39      -0.02     1.25     16
  42       H     0.12     0.76     8.14      -2.39      -0.02     0.74     16
 Total:         -1.00  -129.67   389.50                -11.24  -140.90