REAL300032933843.mol2 43                                                        
   1       C    -0.14    -1.42     9.31      71.98       0.67    -0.75     16
   2       C    -0.09    -1.01     3.27      -9.33      -0.03    -1.04     16
   3       C     0.11     1.20     6.36      86.93       0.55     1.75     16
   4       N    -0.60    -8.02     3.32    -827.62      -2.75   -10.77     16
   5       C     0.58     9.01     7.81      86.86       0.68     9.69     16
   6       O    -0.54   -11.02    16.66      -3.79      -0.06   -11.09     16
   7       C    -0.10    -1.36     5.88     -20.03      -0.12    -1.48     16
   8       C    -0.07    -0.91     8.59      22.52       0.19    -0.71     16
   9       C    -0.11    -1.92    10.08      22.40       0.23    -1.69     16
  10       C     0.28     6.16    10.26      22.76       0.23     6.39     16
  11       C    -0.07    -1.06     6.30     -19.71      -0.12    -1.19     16
  12       C    -0.01    -0.15     9.58      22.50       0.22     0.06     16
  13       C     0.08     1.49     7.74      71.19       0.55     2.04     16
  14       O    -0.50   -16.48    15.05    -128.56      -1.93   -18.42     16
  15       O    -0.67   -25.92    18.54    -128.56      -2.38   -28.31     16
  16       C     0.06     0.93     4.62      86.73       0.40     1.33     16
  17       C     0.14     2.45     2.69      46.18       0.12     2.58     16
  18       N    -0.69   -17.38     5.13    -440.09      -2.26   -19.64     16
  19       C     0.61    24.60     7.80      86.69       0.68    25.28     16
  20       O    -0.54   -26.42    15.45      13.48       0.21   -26.21     16
  21       C    -0.08    -3.83     6.69      41.98       0.28    -3.55     16
  22       N    -0.47   -17.94    10.83     -77.89      -0.84   -18.78     16
  23       S     0.51    19.38    24.20     -56.49      -1.37    18.02     16
  24       N    -0.65   -35.17    12.18    -177.23      -2.16   -37.33     16
  25       C     0.35    21.12     8.19      85.12       0.70    21.81     16
  26       O    -0.73   -52.46    17.64     -73.63      -1.30   -53.76     16
  27       H     0.06     0.65     8.07      -2.39      -0.02     0.63     16
  28       H     0.08     0.54     8.14      -2.39      -0.02     0.52     16
  29       H     0.05     0.73     8.14      -2.38      -0.02     0.71     16
  30       H     0.11     0.92     8.01      -2.38      -0.02     0.91     16
  31       H     0.09     0.86     7.99      -2.39      -0.02     0.84     16
  32       H     0.10     0.94     8.09      -2.39      -0.02     0.92     16
  33       H     0.21     2.62     2.75      -7.96      -0.02     2.60     16
  34       H     0.18     3.05     8.06      -2.91      -0.02     3.03     16
  35       H     0.20     1.43     7.66      -2.91      -0.02     1.41     16
  36       H     0.10     1.46     8.14      -2.39      -0.02     1.44     16
  37       H     0.10     1.44     8.14      -2.39      -0.02     1.42     16
  38       H     0.35    11.71     9.30     -74.06      -0.69    11.02     16
  39       H     0.10     1.37     6.55      -2.39      -0.02     1.35     16
  40       H     0.10     1.50     6.81      -2.39      -0.02     1.48     16
  41       H     0.10     2.14     7.59      -2.39      -0.02     2.12     16
  42       H     0.42     8.82     8.02     -92.71      -0.74     8.08     16
 Total:         -1.00   -95.95   375.63                -11.33  -107.28