REAL300031115291.mol2 43                                                        
   1       C    -0.21    -1.61     7.47      71.98       0.54    -1.07     16
   2       C     0.11     0.88     2.69      45.34       0.12     1.00     16
   3       C     0.13     2.26     3.19      46.18       0.15     2.41     16
   4       N    -0.70   -17.88     4.49    -440.08      -1.98   -19.86     16
   5       C     0.61    25.20     7.81      86.69       0.68    25.88     16
   6       O    -0.54   -27.23    15.36      13.47       0.21   -27.02     16
   7       C    -0.08    -3.87     6.69      41.98       0.28    -3.59     16
   8       N    -0.47   -18.40    10.83     -77.86      -0.84   -19.25     16
   9       S     0.50    19.53    24.20     -56.49      -1.37    18.16     16
  10       N    -0.65   -35.22    12.18    -177.22      -2.16   -37.38     16
  11       C     0.35    21.30     8.19      85.12       0.70    21.99     16
  12       O    -0.73   -52.84    17.64     -73.71      -1.30   -54.14     16
  13       C    -0.14    -2.19     6.77      31.98       0.22    -1.97     16
  14       C     0.11     1.55     6.89      86.85       0.60     2.15     16
  15       N    -0.60    -6.75     3.06    -797.49      -2.44    -9.19     16
  16       C     0.58     7.63     7.66      86.86       0.67     8.30     16
  17       O    -0.55   -11.22    16.62      -3.80      -0.06   -11.28     16
  18       C    -0.11    -0.91     5.35     -20.04      -0.11    -1.02     16
  19       C    -0.05    -0.21     6.17      22.51       0.14    -0.07     16
  20       C    -0.11    -0.75    10.08      22.41       0.23    -0.52     16
  21       C     0.29     4.37    10.27      22.76       0.23     4.61     16
  22       C    -0.08    -0.96     6.30     -19.71      -0.12    -1.09     16
  23       C    -0.02    -0.13     9.58      22.50       0.22     0.09     16
  24       C     0.08     1.34     7.74      71.19       0.55     1.89     16
  25       O    -0.51   -15.26    15.05    -128.57      -1.94   -17.19     16
  26       O    -0.66   -21.26    18.54    -128.57      -2.38   -23.64     16
  27       H     0.06     0.79     5.66      -2.39      -0.01     0.78     16
  28       H     0.09     0.46     4.18      -2.71      -0.01     0.45     16
  29       H     0.10     0.62     8.14      -2.39      -0.02     0.60     16
  30       H     0.15     0.08     6.21      -2.39      -0.01     0.06     16
  31       H     0.12     2.16     7.55      -2.38      -0.02     2.14     16
  32       H     0.41     9.41     5.79     -92.71      -0.54     8.87     16
  33       H     0.07     1.58     8.14      -2.39      -0.02     1.56     16
  34       H     0.11     1.28     8.14      -2.39      -0.02     1.26     16
  35       H     0.09     1.27     8.02      -2.39      -0.02     1.25     16
  36       H     0.07     1.11     8.14      -2.38      -0.02     1.09     16
  37       H     0.23     0.03     2.16      -5.46      -0.01     0.02     16
  38       H     0.20     0.57     8.06      -2.91      -0.02     0.55     16
  39       H     0.19     1.21     7.67      -2.91      -0.02     1.19     16
  40       H     0.09     1.26     8.14      -2.39      -0.02     1.24     16
  41       H     0.09     1.22     8.14      -2.39      -0.02     1.20     16
  42       H     0.35     9.79     9.30     -74.06      -0.69     9.10     16
 Total:         -1.00   -99.79   364.27                -10.67  -110.46