REAL300032323350.mol2 42                                                        
   1       C    -0.14    -4.00     8.51      71.98       0.61    -3.39     16
   2       C    -0.12    -2.28     5.61      30.60       0.17    -2.11     16
   3       C     0.14     2.51     2.41      44.99       0.11     2.62     16
   4       C     0.12     1.57     5.23      86.38       0.45     2.03     16
   5       N    -0.70    -8.37     5.34    -465.97      -2.49   -10.86     16
   6       C     0.56     9.06     7.77      86.79       0.67     9.73     16
   7       O    -0.56   -14.05    16.35      -3.86      -0.06   -14.12     16
   8       C    -0.07    -0.85     5.87     -20.09      -0.12    -0.97     16
   9       C    -0.06    -0.09     9.54      22.59       0.22     0.13     16
  10       C    -0.02     0.07    10.02      22.21       0.22     0.29     16
  11       C    -0.08    -0.35     6.31     -19.60      -0.12    -0.47     16
  12       C     0.27     5.39    10.26      22.74       0.23     5.63     16
  13       C    -0.08    -1.57     9.64      22.70       0.22    -1.35     16
  14       O    -1.00   -56.10    18.54    -128.57      -2.38   -58.48     16
  15       O    -0.41   -10.54    15.05    -128.57      -1.93   -12.47     16
  16       C     0.08     0.21     7.74      71.20       0.55     0.77     16
  17       N    -0.70   -16.99     4.47    -445.73      -1.99   -18.98     16
  18       C     0.61    23.31     6.37      86.69       0.55    23.86     16
  19       O    -0.53   -24.92    12.85      13.49       0.17   -24.75     16
  20       C    -0.08    -3.42     6.69      41.98       0.28    -3.14     16
  21       N    -0.47   -16.70    10.83     -77.90      -0.84   -17.54     16
  22       S     0.50    17.77    24.20     -56.49      -1.37    16.40     16
  23       N    -0.65   -33.28    12.18    -177.21      -2.16   -35.44     16
  24       C     0.36    20.12     8.19      85.12       0.70    20.82     16
  25       O    -0.73   -50.60    17.64     -73.75      -1.30   -51.90     16
  26       H     0.06     1.42     8.14      -2.39      -0.02     1.40     16
  27       H     0.02     0.81     5.64      -2.39      -0.01     0.80     16
  28       H     0.04     1.40     7.84      -2.39      -0.02     1.38     16
  29       H     0.10     1.32     8.14      -2.39      -0.02     1.30     16
  30       H     0.08     1.29     8.14      -2.39      -0.02     1.28     16
  31       H     0.09     1.90     7.58      -2.39      -0.02     1.88     16
  32       H     0.10     1.21     8.14      -2.39      -0.02     1.19     16
  33       H     0.09     1.14     8.14      -2.38      -0.02     1.12     16
  34       H     0.41     3.60     6.17     -92.71      -0.57     3.03     16
  35       H     0.19    -0.56     6.39      -2.91      -0.02    -0.58     16
  36       H     0.24    -3.57     8.06      -2.91      -0.02    -3.59     16
  37       H     0.15     3.94     7.65      -2.91      -0.02     3.92     16
  38       H     0.28    15.10     9.30     -74.06      -0.69    14.41     16
  39       H     0.24    -1.79     8.14      -2.39      -0.02    -1.81     16
  40       H     0.25    -1.75     8.14      -2.39      -0.02    -1.77     16
  41       H     0.41     8.57     8.09     -92.71      -0.75     7.82     16
 Total:         -1.00  -130.05   371.34                -11.87  -141.92