REAL300033761693.mol2 43                                                        
   1       C    -0.14    -1.54     8.86      71.98       0.64    -0.90     16
   2       C    -0.09    -0.90     3.53      -9.23      -0.03    -0.94     16
   3       H     0.13     0.73     8.14      -2.38      -0.02     0.71     16
   4       C     0.11     1.22     6.35      87.02       0.55     1.78     16
   5       N    -0.60    -8.14     3.33    -827.78      -2.75   -10.90     16
   6       C     0.58     9.25     7.81      86.86       0.68     9.93     16
   7       O    -0.55   -11.73    16.66      -3.77      -0.06   -11.79     16
   8       C    -0.10    -1.34     5.88     -20.04      -0.12    -1.46     16
   9       C    -0.07    -0.80     8.59      22.52       0.19    -0.60     16
  10       C    -0.11    -1.64    10.08      22.41       0.23    -1.41     16
  11       C     0.29     5.85    10.27      22.76       0.23     6.08     16
  12       C    -0.07    -1.08     6.30     -19.71      -0.12    -1.20     16
  13       C    -0.02    -0.18     9.58      22.50       0.22     0.03     16
  14       C     0.08     1.50     7.74      71.19       0.55     2.05     16
  15       O    -0.51   -16.41    15.05    -128.57      -1.94   -18.34     16
  16       O    -0.67   -24.84    18.54    -128.57      -2.38   -27.22     16
  17       C     0.06     0.85     4.61      86.73       0.40     1.25     16
  18       C     0.13     2.22     3.04      46.18       0.14     2.36     16
  19       H     0.11     2.16     7.62      -2.39      -0.02     2.14     16
  20       N    -0.69   -17.93     4.51    -440.08      -1.98   -19.92     16
  21       C     0.61    24.82     7.81      86.69       0.68    25.50     16
  22       O    -0.54   -26.22    15.40      13.49       0.21   -26.02     16
  23       C    -0.08    -3.87     6.69      41.98       0.28    -3.59     16
  24       N    -0.47   -18.44    10.83     -77.92      -0.84   -19.29     16
  25       S     0.50    19.55    24.20     -56.49      -1.37    18.18     16
  26       N    -0.65   -35.30    12.18    -177.22      -2.16   -37.46     16
  27       C     0.35    21.23     8.19      85.12       0.70    21.92     16
  28       O    -0.73   -52.43    17.64     -73.79      -1.30   -53.74     16
  29       H     0.06     0.79     8.14      -2.38      -0.02     0.78     16
  30       H     0.08     0.59     8.14      -2.38      -0.02     0.57     16
  31       H     0.05     0.70     6.44      -2.39      -0.02     0.68     16
  32       H     0.10     1.01     8.09      -2.39      -0.02     0.99     16
  33       H     0.07     0.95     8.00      -2.39      -0.02     0.93     16
  34       H     0.21     2.19     2.74      -8.22      -0.02     2.17     16
  35       H     0.19     2.54     8.06      -2.91      -0.02     2.52     16
  36       H     0.20     1.55     7.66      -2.91      -0.02     1.53     16
  37       H     0.09     1.44     8.14      -2.38      -0.02     1.42     16
  38       H     0.10     1.45     8.14      -2.39      -0.02     1.43     16
  39       H     0.35    11.28     9.30     -74.06      -0.69    10.59     16
  40       H     0.13     1.03     6.65      -2.39      -0.02     1.01     16
  41       H     0.08     1.41     6.72      -2.39      -0.02     1.39     16
  42       H     0.41     9.54     6.50     -92.71      -0.60     8.94     16
 Total:         -1.00   -96.97   372.15                -10.93  -107.91