REAL300033102533.mol2 41                                                        
   1       O    -0.52   -22.53    14.06      13.48       0.19   -22.34     16
   2       C     0.61    24.01     7.49      86.69       0.65    24.66     16
   3       N    -0.67   -18.36     5.68    -415.49      -2.36   -20.72     16
   4       C     0.04     0.72     3.29       5.96       0.02     0.74     16
   5       C    -0.10    -1.10    10.30      32.04       0.33    -0.77     16
   6       C    -0.15    -1.76     6.99      -9.89      -0.07    -1.83     16
   7       H     0.14     1.43     8.14      -2.38      -0.02     1.41     16
   8       C     0.13     1.54     6.87      86.53       0.59     2.13     16
   9       N    -0.61   -10.32     3.31    -811.35      -2.69   -13.00     16
  10       C     0.58    13.39     7.73      86.79       0.67    14.06     16
  11       O    -0.56   -16.92    16.80      -3.88      -0.07   -16.99     16
  12       C    -0.08    -1.61     5.75     -20.09      -0.12    -1.73     16
  13       C    -0.07    -0.90     7.99      22.59       0.18    -0.72     16
  14       C    -0.02    -0.20    10.02      22.21       0.22     0.02     16
  15       C    -0.08    -1.23     6.31     -19.60      -0.12    -1.35     16
  16       C     0.27     7.57    10.26      22.75       0.23     7.80     16
  17       C    -0.08    -2.25     9.63      22.70       0.22    -2.03     16
  18       O    -0.99   -59.73    18.54    -128.57      -2.38   -62.12     16
  19       O    -0.40   -13.14    15.05    -128.57      -1.93   -15.08     16
  20       C     0.08     0.92     7.74      71.19       0.55     1.48     16
  21       C     0.12     1.96     3.96      86.54       0.34     2.30     16
  22       C    -0.08    -3.72     6.69      41.98       0.28    -3.43     16
  23       N    -0.48   -19.14    10.83     -77.89      -0.84   -19.99     16
  24       S     0.49    19.31    24.20     -56.49      -1.37    17.95     16
  25       N    -0.64   -34.17    12.18    -177.23      -2.16   -36.33     16
  26       C     0.36    20.55     8.19      85.12       0.70    21.24     16
  27       O    -0.72   -47.95    17.64     -73.65      -1.30   -49.25     16
  28       H     0.41    10.47     8.32     -92.71      -0.77     9.69     16
  29       H     0.13     0.75     8.14      -2.39      -0.02     0.73     16
  30       H     0.12     1.23     8.14      -2.39      -0.02     1.21     16
  31       H     0.09     1.25     7.84      -2.39      -0.02     1.23     16
  32       H     0.12     0.72     8.14      -2.39      -0.02     0.70     16
  33       H     0.20     1.74     4.81      -2.91      -0.01     1.72     16
  34       H     0.24    -0.33     8.06      -2.91      -0.02    -0.35     16
  35       H     0.16     4.99     7.80      -2.91      -0.02     4.97     16
  36       H     0.28    16.36     9.30     -74.06      -0.69    15.67     16
  37       H     0.25    -0.02     8.14      -2.38      -0.02    -0.04     16
  38       H     0.24     0.96     8.14      -2.39      -0.02     0.94     16
  39       H     0.09     1.88     4.36      -2.39      -0.01     1.87     16
  40       H     0.13     1.32     7.85      -2.39      -0.02     1.30     16
 Total:         -1.00  -122.32   364.67                -11.91  -134.23