REAL300019666882.mol2 41                                                        
   1       O    -0.56   -17.97    13.68      -3.06      -0.04   -18.02     16
   2       C     0.51    11.28     7.56      87.66       0.66    11.94     16
   3       C    -0.12    -1.49     5.68      29.85       0.17    -1.32     16
   4       C    -0.07    -0.99     4.62      29.85       0.14    -0.85     16
   5       C    -0.08    -0.62     5.16     -19.70      -0.10    -0.72     16
   6       C    -0.06     0.22     9.68      22.27       0.22     0.43     16
   7       C    -0.06     0.50    10.04      22.34       0.22     0.73     16
   8       C    -0.07     0.26    10.04      22.24       0.22     0.49     16
   9       C    -0.08    -0.67     6.31     -19.69      -0.12    -0.79     16
  10       C     0.26     4.10     9.97      22.77       0.23     4.33     16
  11       O    -0.67   -24.91    17.75    -128.58      -2.28   -27.19     16
  12       O    -0.55   -17.69    15.05    -128.58      -1.94   -19.62     16
  13       C     0.07     1.24     7.74      71.18       0.55     1.79     16
  14       N    -0.66   -13.20     5.33    -303.43      -1.62   -14.82     16
  15       C     0.14     4.25     6.28      38.21       0.24     4.49     16
  16       C    -0.12    -4.20     8.64      22.36       0.19    -4.01     16
  17       C    -0.09    -3.82     9.69      22.45       0.22    -3.60     16
  18       C    -0.02    -0.85     5.88     -20.02      -0.12    -0.97     16
  19       C     0.09     5.56     7.93     137.42       1.09     6.65     16
  20       N    -0.39   -24.67    12.15     -52.25      -0.63   -25.31     16
  21       N    -0.21   -14.07    13.45      37.02       0.50   -13.57     16
  22       N    -0.21   -14.19    13.46      37.02       0.50   -13.69     16
  23       N    -0.39   -25.27    12.15     -52.25      -0.63   -25.91     16
  24       C    -0.08    -3.35     9.69      22.45       0.22    -3.13     16
  25       C    -0.13    -3.82     9.95      22.36       0.22    -3.60     16
  26       H     0.10     1.41     8.14      -2.39      -0.02     1.39     16
  27       H     0.15     0.29     8.14      -2.39      -0.02     0.27     16
  28       H     0.06     1.39     7.30      -2.39      -0.02     1.37     16
  29       H     0.12     1.16     8.01      -2.39      -0.02     1.14     16
  30       H     0.21    -2.17     8.06      -2.91      -0.02    -2.19     16
  31       H     0.21    -3.49     8.06      -2.91      -0.02    -3.51     16
  32       H     0.21    -2.30     8.06      -2.91      -0.02    -2.33     16
  33       H     0.34    11.80     9.30     -74.05      -0.69    11.11     16
  34       H     0.08     1.07     8.14      -2.39      -0.02     1.05     16
  35       H     0.08     1.05     8.14      -2.39      -0.02     1.03     16
  36       H     0.43     4.82     8.82     -92.71      -0.82     4.00     16
  37       H     0.14     4.63     6.42      -2.91      -0.02     4.61     16
  38       H     0.12     5.26     7.88      -2.91      -0.02     5.24     16
  39       H     0.13     5.17     7.88      -2.91      -0.02     5.14     16
  40       H     0.17     3.48     8.06      -2.91      -0.02     3.46     16
 Total:         -1.00  -110.79   358.27                 -3.68  -114.47