REAL300032617795.mol2 40                                                        
   1       O    -0.56   -14.44    16.33      -3.76      -0.06   -14.50     16
   2       C     0.57    12.64     7.78      86.86       0.68    13.32     16
   3       N    -0.70   -15.09     4.12    -465.72      -1.92   -17.01     16
   4       C     0.12     2.14     5.36      86.38       0.46     2.61     16
   5       C     0.12     1.82     4.07      41.79       0.17     1.99     16
   6       C    -0.12    -1.13     8.03      30.93       0.25    -0.88     16
   7       C     0.10     1.83     7.61      83.18       0.63     2.46     16
   8       N    -0.64   -17.58     3.57    -837.52      -2.99   -20.57     16
   9       C     0.63    26.46     7.96      86.69       0.69    27.15     16
  10       O    -0.54   -25.33    13.61      13.49       0.18   -25.15     16
  11       C    -0.08    -3.73     6.69      41.98       0.28    -3.45     16
  12       N    -0.46   -18.74     9.45     -77.87      -0.74   -19.48     16
  13       S     0.49    19.63    24.20     -56.49      -1.37    18.26     16
  14       N    -0.65   -36.42    12.18    -177.22      -2.16   -38.58     16
  15       C     0.36    21.69     8.19      85.12       0.70    22.39     16
  16       O    -0.73   -52.94    17.64     -73.77      -1.30   -54.24     16
  17       C    -0.12    -2.21     5.88     -20.04      -0.12    -2.33     16
  18       C    -0.01    -0.15     9.53      22.52       0.21     0.07     16
  19       C    -0.13    -3.04    10.08      22.41       0.23    -2.81     16
  20       C     0.30     8.03    10.27      22.77       0.23     8.27     16
  21       C    -0.11    -1.66     6.30     -19.71      -0.12    -1.79     16
  22       C     0.02     0.28     9.58      22.50       0.22     0.50     16
  23       C     0.09     0.90     7.74      71.19       0.55     1.46     16
  24       O    -0.40   -12.66    15.05    -128.57      -1.94   -14.60     16
  25       O    -0.99   -58.92    18.54    -128.57      -2.38   -61.30     16
  26       H     0.41     8.82     5.37     -92.71      -0.50     8.32     16
  27       H     0.05     1.20     8.14      -2.38      -0.02     1.18     16
  28       H     0.11     1.42     8.14      -2.39      -0.02     1.40     16
  29       H     0.13     1.26     8.14      -2.39      -0.02     1.24     16
  30       H     0.10     1.04     8.12      -2.39      -0.02     1.02     16
  31       H     0.14     0.22     8.14      -2.39      -0.02     0.20     16
  32       H     0.10     1.47     8.14      -2.39      -0.02     1.45     16
  33       H     0.07     1.60     7.29      -2.38      -0.02     1.59     16
  34       H     0.18     3.19     6.39      -2.91      -0.02     3.17     16
  35       H     0.17     4.38     8.06      -2.91      -0.02     4.36     16
  36       H     0.22     1.13     7.64      -2.91      -0.02     1.10     16
  37       H     0.25    -0.20     8.14      -2.39      -0.02    -0.22     16
  38       H     0.24     0.39     8.14      -2.38      -0.02     0.37     16
  39       H     0.28    16.11     9.30     -74.06      -0.69    15.42     16
 Total:         -1.00  -126.57   358.91                -11.03  -137.61