REAL300033151760.mol2 43                                                        
   1       C     0.09     2.18     7.90     127.77       1.01     3.19     16
   2       N    -0.59   -19.53     3.09    -832.10      -2.57   -22.10     16
   3       C     0.60    28.75     7.65      86.69       0.66    29.41     16
   4       O    -0.55   -31.53    15.26      13.33       0.20   -31.33     16
   5       C    -0.08    -4.32     6.44      41.98       0.27    -4.05     16
   6       N    -0.45   -18.51     7.65     -77.88      -0.60   -19.11     16
   7       S     0.50    20.05    24.20     -56.49      -1.37    18.69     16
   8       N    -0.64   -36.45    12.18    -177.22      -2.16   -38.61     16
   9       C     0.36    22.45     8.18      85.12       0.70    23.15     16
  10       O    -0.73   -55.76    17.66     -73.96      -1.31   -57.06     16
  11       C     0.11     3.01     4.37      46.75       0.20     3.21     16
  12       C     0.11     1.86     8.00      86.48       0.69     2.55     16
  13       N    -0.64   -15.31     3.61    -837.07      -3.02   -18.33     16
  14       C     0.53    14.76     7.95      87.66       0.70    15.46     16
  15       O    -0.58   -22.89    16.18       9.23       0.15   -22.74     16
  16       C    -0.14    -2.36     5.14      29.85       0.15    -2.20     16
  17       C     0.11     2.46     3.11      29.79       0.09     2.56     16
  18       O    -0.47   -17.19    14.02    -122.39      -1.72   -18.90     16
  19       O    -0.77   -32.63    18.54    -128.58      -2.38   -35.02     16
  20       C     0.26     4.05    10.28      22.77       0.23     4.28     16
  21       C    -0.12    -0.46    10.09      22.43       0.23    -0.24     16
  22       C    -0.04     0.32    10.04      22.27       0.22     0.54     16
  23       C    -0.07     0.63    10.04      22.34       0.22     0.86     16
  24       C    -0.06     0.20    10.04      22.24       0.22     0.42     16
  25       C    -0.08    -0.75     5.56     -19.69      -0.11    -0.86     16
  26       C     0.09     2.41     8.34      86.48       0.72     3.13     16
  27       H     0.08     1.72     8.09      -2.39      -0.02     1.70     16
  28       H     0.09     1.73     6.18      -2.39      -0.01     1.72     16
  29       H     0.07     2.22     5.80      -2.38      -0.01     2.20     16
  30       H     0.11     3.55     7.29      -2.38      -0.02     3.53     16
  31       H     0.12     1.53     6.60      -2.38      -0.02     1.51     16
  32       H     0.13     1.27     8.14      -2.39      -0.02     1.25     16
  33       H     0.11     1.68     8.14      -2.39      -0.02     1.66     16
  34       H     0.15     0.86     8.14      -2.39      -0.02     0.84     16
  35       H     0.10     2.30     7.91      -2.39      -0.02     2.28     16
  36       H     0.33    13.35     9.30     -74.05      -0.69    12.66     16
  37       H     0.18     0.60     8.06      -2.91      -0.02     0.58     16
  38       H     0.22    -3.31     8.06      -2.91      -0.02    -3.34     16
  39       H     0.21    -3.67     8.06      -2.91      -0.02    -3.70     16
  40       H     0.21    -1.96     8.06      -2.91      -0.02    -1.98     16
  41       H     0.07     2.15     8.14      -2.39      -0.02     2.14     16
  42       H     0.10     2.45     7.05      -2.39      -0.02     2.44     16
 Total:         -1.00  -128.08   378.53                 -9.52  -137.60