REAL300019969678.mol2 42                                                        
   1       O    -0.55   -17.16    13.42      -3.04      -0.04   -17.20     16
   2       C     0.51    11.87     7.67      87.66       0.67    12.54     16
   3       C    -0.12    -1.67     5.68      29.85       0.17    -1.50     16
   4       C    -0.07    -0.96     4.62      29.85       0.14    -0.82     16
   5       C    -0.08    -0.66     5.16     -19.70      -0.10    -0.76     16
   6       C    -0.06     0.16     9.68      22.26       0.22     0.38     16
   7       C    -0.06     0.45    10.04      22.34       0.22     0.68     16
   8       C    -0.07     0.21    10.04      22.25       0.22     0.44     16
   9       C    -0.08    -0.71     6.31     -19.70      -0.12    -0.84     16
  10       C     0.26     4.18     9.97      22.75       0.23     4.40     16
  11       O    -0.67   -24.09    17.75    -128.58      -2.28   -26.37     16
  12       O    -0.55   -17.67    15.05    -128.58      -1.94   -19.60     16
  13       C     0.08     1.27     7.74      71.18       0.55     1.82     16
  14       N    -0.66   -15.31     5.34    -303.55      -1.62   -16.93     16
  15       C     0.17     5.51     6.30      38.14       0.24     5.75     16
  16       C    -0.15    -5.03     8.69      22.42       0.19    -4.84     16
  17       C    -0.07    -2.49    10.03      22.23       0.22    -2.26     16
  18       C    -0.18    -8.17     9.40      22.41       0.21    -7.96     16
  19       C     0.17     8.20     6.69      38.09       0.25     8.45     16
  20       N    -0.45   -24.89     3.80    -316.30      -1.20   -26.09     16
  21       N    -0.08    -4.19    12.85      37.02       0.48    -3.71     16
  22       N    -0.05    -2.94    13.66      37.02       0.51    -2.43     16
  23       N    -0.54   -33.85    12.93    -184.04      -2.38   -36.23     16
  24       C     0.54    33.88     9.05     178.88       1.62    35.49     16
  25       O    -0.63   -41.58    15.32      -4.68      -0.07   -41.65     16
  26       C    -0.16    -5.94     9.58      22.51       0.22    -5.72     16
  27       H     0.10     1.54     8.14      -2.39      -0.02     1.52     16
  28       H     0.15     0.64     8.14      -2.38      -0.02     0.62     16
  29       H     0.12     1.19     8.01      -2.38      -0.02     1.18     16
  30       H     0.06     1.45     7.30      -2.39      -0.02     1.44     16
  31       H     0.21    -1.88     8.06      -2.91      -0.02    -1.90     16
  32       H     0.21    -3.23     8.06      -2.91      -0.02    -3.26     16
  33       H     0.21    -2.15     8.06      -2.91      -0.02    -2.18     16
  34       H     0.34    11.45     9.30     -74.05      -0.69    10.76     16
  35       H     0.08     1.08     8.14      -2.39      -0.02     1.06     16
  36       H     0.08     1.08     8.14      -2.38      -0.02     1.06     16
  37       H     0.43     6.86     8.82     -92.71      -0.82     6.04     16
  38       H     0.14     4.76     6.22      -2.91      -0.02     4.74     16
  39       H     0.15     4.63     8.06      -2.91      -0.02     4.60     16
  40       H     0.12     6.40     5.52      -2.91      -0.02     6.38     16
  41       H     0.15     5.03     7.70      -2.91      -0.02     5.00     16
 Total:         -1.00  -102.72   364.43                 -5.17  -107.89