REAL300034187636.mol2 41                                                        
   1       O    -0.54   -28.49    15.29      13.46       0.21   -28.28     16
   2       C     0.61    25.97     7.81      86.69       0.68    26.65     16
   3       N    -0.67   -17.13     5.43    -445.70      -2.42   -19.55     16
   4       C     0.07     1.38     5.20      45.00       0.23     1.61     16
   5       H     0.11     2.95     7.40      -2.39      -0.02     2.93     16
   6       C    -0.11    -0.93     6.98      -9.94      -0.07    -1.00     16
   7       H     0.17     0.49     8.14      -2.38      -0.02     0.47     16
   8       C    -0.10    -0.61     6.86      31.80       0.22    -0.39     16
   9       C     0.11     0.83     7.07      86.73       0.61     1.44     16
  10       N    -0.58    -7.69     3.24    -790.82      -2.56   -10.26     16
  11       C     0.59    10.77     7.86      86.86       0.68    11.45     16
  12       O    -0.54   -12.26    16.60      -3.78      -0.06   -12.33     16
  13       C    -0.11    -2.03     5.88     -20.04      -0.12    -2.15     16
  14       C    -0.05    -0.99     8.86      22.52       0.20    -0.79     16
  15       C    -0.12    -3.39    10.08      22.41       0.23    -3.16     16
  16       C     0.28     8.90    10.27      22.77       0.23     9.13     16
  17       C    -0.07    -1.60     6.30     -19.70      -0.12    -1.72     16
  18       C    -0.01    -0.26     9.58      22.50       0.22    -0.05     16
  19       C     0.08     2.00     7.74      71.19       0.55     2.55     16
  20       O    -0.50   -20.11    15.05    -128.57      -1.94   -22.04     16
  21       O    -0.68   -33.51    18.54    -128.57      -2.38   -35.90     16
  22       C     0.01     0.15     4.15      45.16       0.19     0.33     16
  23       H     0.17     1.04     7.22      -2.39      -0.02     1.02     16
  24       C    -0.08    -4.13     6.69      41.98       0.28    -3.84     16
  25       N    -0.46   -18.02    10.83     -77.91      -0.84   -18.86     16
  26       S     0.52    20.32    24.20     -56.49      -1.37    18.95     16
  27       N    -0.65   -36.68    12.18    -177.22      -2.16   -38.84     16
  28       C     0.35    21.98     8.19      85.12       0.70    22.67     16
  29       O    -0.73   -55.26    17.64     -73.79      -1.30   -56.56     16
  30       H     0.42     8.24     8.31     -92.71      -0.77     7.47     16
  31       H     0.13     0.03     8.14      -2.39      -0.02     0.01     16
  32       H     0.07     0.68     8.14      -2.39      -0.02     0.66     16
  33       H     0.11     0.37     8.14      -2.39      -0.02     0.35     16
  34       H     0.09     0.84     7.90      -2.39      -0.02     0.83     16
  35       H     0.20     3.46     2.63      -3.82      -0.01     3.45     16
  36       H     0.17     4.93     8.06      -2.91      -0.02     4.91     16
  37       H     0.21     2.50     7.65      -2.91      -0.02     2.48     16
  38       H     0.11     2.13     8.14      -2.38      -0.02     2.11     16
  39       H     0.09     2.06     8.14      -2.39      -0.02     2.04     16
  40       H     0.35    15.01     9.30     -74.06      -0.69    14.32     16
 Total:         -1.00  -106.07   365.81                -11.81  -117.88