REAL300032245386.mol2 41                                                        
   1       O    -0.55   -29.32    16.06      13.46       0.22   -29.10     16
   2       C     0.62    27.76     7.88      86.69       0.68    28.44     16
   3       C    -0.08    -4.01     6.64      41.98       0.28    -3.73     16
   4       N    -0.46   -18.88     8.60     -77.91      -0.67   -19.55     16
   5       S     0.50    20.03    24.20     -56.49      -1.37    18.66     16
   6       N    -0.64   -36.25    12.18    -177.22      -2.16   -38.41     16
   7       C     0.36    22.03     8.19      85.12       0.70    22.73     16
   8       O    -0.73   -54.39    17.64     -73.75      -1.30   -55.69     16
   9       N    -0.61   -17.71     2.95    -772.01      -2.28   -19.99     16
  10       C     0.10     2.38     4.87      87.15       0.42     2.81     16
  11       C     0.13     1.77     5.25      46.93       0.25     2.01     16
  12       H     0.16     1.68     8.03      -2.39      -0.02     1.66     16
  13       C    -0.12    -1.24     6.81      33.48       0.23    -1.02     16
  14       C     0.11     1.93     5.25      46.94       0.25     2.18     16
  15       H     0.15     2.50     8.05      -2.39      -0.02     2.48     16
  16       C     0.07     0.77     4.23      87.16       0.37     1.14     16
  17       N    -0.61    -7.84     2.96    -775.58      -2.29   -10.13     16
  18       C     0.59     8.28     7.86      86.86       0.68     8.96     16
  19       O    -0.55   -10.48    16.69      -3.77      -0.06   -10.54     16
  20       C    -0.11    -1.11     5.88     -20.04      -0.12    -1.23     16
  21       C     0.00    -0.01     9.59      22.52       0.22     0.20     16
  22       C    -0.11    -1.01    10.08      22.41       0.23    -0.78     16
  23       C     0.28     5.11    10.27      22.76       0.23     5.34     16
  24       C    -0.07    -1.09     6.30     -19.71      -0.12    -1.21     16
  25       C    -0.08    -0.77     8.77      22.50       0.20    -0.57     16
  26       C     0.07     1.55     7.74      71.19       0.55     2.10     16
  27       O    -0.51   -16.78    15.05    -128.57      -1.94   -18.71     16
  28       O    -0.67   -22.89    18.54    -128.57      -2.38   -25.28     16
  29       H     0.08     2.00     7.61      -2.38      -0.02     1.98     16
  30       H     0.06     1.64     7.79      -2.39      -0.02     1.63     16
  31       H     0.13     0.52     8.14      -2.39      -0.02     0.50     16
  32       H     0.10     1.10     8.14      -2.39      -0.02     1.08     16
  33       H     0.08     1.19     6.86      -2.39      -0.02     1.18     16
  34       H     0.14     0.41     6.89      -2.39      -0.02     0.40     16
  35       H     0.20     0.75     7.65      -2.91      -0.02     0.73     16
  36       H     0.20     1.08     8.06      -2.91      -0.02     1.05     16
  37       H     0.21     1.45     2.78      -4.53      -0.01     1.44     16
  38       H     0.08     1.58     8.14      -2.39      -0.02     1.56     16
  39       H     0.10     1.59     8.14      -2.39      -0.02     1.57     16
  40       H     0.35    10.55     9.30     -74.06      -0.69     9.86     16
 Total:         -1.00  -104.13   356.03                -10.12  -114.26