REAL300031639209.mol2 36                                                        
   1       O    -0.55   -28.15    15.72      13.47       0.21   -27.94     16
   2       C     0.61    26.55     7.81      86.69       0.68    27.23     16
   3       N    -0.70   -20.08     5.55    -466.29      -2.59   -22.67     16
   4       C     0.11     1.99     5.79      86.38       0.50     2.49     16
   5       C     0.12     1.52     5.79      86.38       0.50     2.02     16
   6       N    -0.69    -4.68     5.51    -465.97      -2.57    -7.24     16
   7       C     0.56     7.16     7.77      86.79       0.67     7.84     16
   8       O    -0.57   -13.99    16.35      -3.88      -0.06   -14.06     16
   9       C    -0.07    -0.47     5.87     -20.09      -0.12    -0.59     16
  10       C    -0.05     0.33     9.54      22.59       0.22     0.54     16
  11       C    -0.01     0.14    10.02      22.21       0.22     0.37     16
  12       C    -0.08     0.07     6.31     -19.60      -0.12    -0.05     16
  13       C     0.27     4.51    10.26      22.75       0.23     4.75     16
  14       C    -0.09    -1.43     9.64      22.70       0.22    -1.21     16
  15       O    -1.02   -56.57    18.54    -128.57      -2.38   -58.95     16
  16       O    -0.41    -9.68    15.05    -128.57      -1.93   -11.61     16
  17       C     0.08    -0.11     7.74      71.20       0.55     0.44     16
  18       C    -0.08    -4.17     6.69      41.98       0.28    -3.89     16
  19       N    -0.47   -19.46    10.83     -77.89      -0.84   -20.30     16
  20       S     0.51    20.38    24.20     -56.49      -1.37    19.01     16
  21       N    -0.64   -35.67    12.18    -177.22      -2.16   -37.82     16
  22       C     0.36    21.76     8.19      85.12       0.70    22.46     16
  23       O    -0.73   -53.25    17.64     -73.77      -1.30   -54.55     16
  24       H     0.42    10.47     7.96     -92.70      -0.74     9.73     16
  25       H     0.08     1.41     8.14      -2.39      -0.02     1.39     16
  26       H     0.08     1.40     8.14      -2.39      -0.02     1.39     16
  27       H     0.08     1.17     8.14      -2.39      -0.02     1.15     16
  28       H     0.08     1.17     8.14      -2.39      -0.02     1.15     16
  29       H     0.43    -1.03     6.50     -92.70      -0.60    -1.63     16
  30       H     0.22    -3.43     6.39      -2.91      -0.02    -3.45     16
  31       H     0.26    -6.22     8.06      -2.91      -0.02    -6.24     16
  32       H     0.15     3.58     7.65      -2.91      -0.02     3.56     16
  33       H     0.28    14.91     9.30     -74.06      -0.69    14.22     16
  34       H     0.25    -2.89     8.14      -2.39      -0.02    -2.91     16
  35       H     0.25    -2.90     8.14      -2.38      -0.02    -2.92     16
 Total:         -1.00  -145.64   337.70                -12.68  -158.32