REAL300032605585.mol2 43                                                        
   1       O    -0.54   -25.10    12.76      13.48       0.17   -24.93     16
   2       C     0.61    23.46     7.14      86.69       0.62    24.08     16
   3       N    -0.70   -17.17     4.49    -445.73      -2.00   -19.17     16
   4       C     0.17     3.25     2.43      44.99       0.11     3.36     16
   5       C     0.13     1.73     5.21      86.38       0.45     2.18     16
   6       N    -0.70    -8.52     5.34    -465.96      -2.49   -11.01     16
   7       C     0.56     9.11     7.77      86.79       0.67     9.78     16
   8       O    -0.56   -14.06    16.35      -3.85      -0.06   -14.12     16
   9       C    -0.07    -0.85     5.87     -20.09      -0.12    -0.97     16
  10       C    -0.06    -0.09     9.54      22.58       0.22     0.13     16
  11       C    -0.02     0.07    10.02      22.21       0.22     0.29     16
  12       C    -0.08    -0.34     6.31     -19.60      -0.12    -0.47     16
  13       C     0.27     5.38    10.26      22.74       0.23     5.61     16
  14       C    -0.08    -1.56     9.64      22.70       0.22    -1.34     16
  15       O    -1.00   -56.06    18.54    -128.57      -2.38   -58.44     16
  16       O    -0.41   -10.51    15.05    -128.57      -1.94   -12.44     16
  17       C     0.08     0.21     7.74      71.20       0.55     0.76     16
  18       C    -0.16    -3.20     5.36     -10.80      -0.06    -3.26     16
  19       C    -0.15    -3.04    10.18      30.59       0.31    -2.72     16
  20       C    -0.21    -5.76     9.74      30.59       0.30    -5.46     16
  21       C    -0.08    -3.40     6.69      41.98       0.28    -3.12     16
  22       N    -0.47   -16.63    10.83     -77.92      -0.84   -17.48     16
  23       S     0.50    17.77    24.20     -56.49      -1.37    16.41     16
  24       N    -0.65   -33.17    12.18    -177.23      -2.16   -35.33     16
  25       C     0.36    20.10     8.19      85.12       0.70    20.80     16
  26       O    -0.73   -50.47    17.64     -73.75      -1.30   -51.77     16
  27       H     0.41     8.70     8.09     -92.71      -0.75     7.95     16
  28       H     0.09     1.97     7.33      -2.39      -0.02     1.95     16
  29       H     0.09     1.21     8.14      -2.39      -0.02     1.19     16
  30       H     0.10     1.32     8.14      -2.38      -0.02     1.30     16
  31       H     0.41     3.65     6.17     -92.71      -0.57     3.08     16
  32       H     0.19    -0.56     6.39      -2.91      -0.02    -0.58     16
  33       H     0.24    -3.58     8.06      -2.91      -0.02    -3.60     16
  34       H     0.15     3.94     7.65      -2.91      -0.02     3.92     16
  35       H     0.28    15.09     9.30     -74.06      -0.69    14.40     16
  36       H     0.24    -1.83     8.14      -2.39      -0.02    -1.84     16
  37       H     0.24    -1.75     8.14      -2.39      -0.02    -1.77     16
  38       H     0.13     2.02     8.11      -2.39      -0.02     2.00     16
  39       H     0.09     1.93     8.05      -2.39      -0.02     1.91     16
  40       H     0.12     1.79     8.14      -2.39      -0.02     1.77     16
  41       H     0.09     2.38     8.14      -2.39      -0.02     2.36     16
  42       H     0.08     3.06     5.03      -2.39      -0.01     3.05     16
 Total:         -1.00  -129.49   382.50                -12.05  -141.53