REAL300019966992.mol2 35                                                        
   1       O    -0.54   -14.88    13.77      -3.81      -0.05   -14.93     16
   2       C     0.56     8.59     7.62      86.85       0.66     9.26     16
   3       N    -0.64    -7.33     5.28    -305.98      -1.62    -8.94     16
   4       C     0.16     3.65     6.30      38.17       0.24     3.89     16
   5       C    -0.14    -2.34     9.96      22.42       0.22    -2.12     16
   6       C    -0.07    -1.61    10.03      22.23       0.22    -1.39     16
   7       C    -0.18    -7.23     9.40      22.41       0.21    -7.02     16
   8       C     0.16     7.13     6.69      38.09       0.25     7.38     16
   9       N    -0.45   -25.00     3.80    -316.31      -1.20   -26.20     16
  10       N    -0.08    -4.59    12.85      37.02       0.48    -4.11     16
  11       N    -0.06    -3.34    13.66      37.02       0.51    -2.84     16
  12       N    -0.55   -34.47    12.93    -184.04      -2.38   -36.85     16
  13       C     0.54    33.73     9.05     178.88       1.62    35.35     16
  14       O    -0.63   -40.64    15.32      -4.68      -0.07   -40.71     16
  15       C    -0.15    -5.58     8.31      22.52       0.19    -5.39     16
  16       C    -0.11    -0.75     5.88     -20.04      -0.12    -0.87     16
  17       C     0.00    -0.02     9.58      22.50       0.22     0.20     16
  18       C    -0.11    -1.07     9.74      22.45       0.22    -0.85     16
  19       C     0.35     4.61     9.79      22.81       0.22     4.84     16
  20       O    -0.74   -23.52    17.23    -127.47      -2.20   -25.72     16
  21       O    -0.73   -21.23    17.23    -127.47      -2.20   -23.43     16
  22       C    -0.10    -0.42     9.74      22.45       0.22    -0.20     16
  23       C     0.00     0.00     9.53      22.50       0.21     0.22     16
  24       H     0.44    -0.24     6.86     -92.71      -0.64    -0.88     16
  25       H     0.19     0.98     8.06      -2.91      -0.02     0.96     16
  26       H     0.17     2.82     8.06      -2.91      -0.02     2.80     16
  27       H     0.12     5.55     5.52      -2.91      -0.02     5.54     16
  28       H     0.13     5.19     5.87      -2.91      -0.02     5.17     16
  29       H     0.19     1.59     7.64      -2.91      -0.02     1.57     16
  30       H     0.18     2.02     7.75      -2.91      -0.02     1.99     16
  31       H     0.33     9.19     8.90     -74.06      -0.66     8.53     16
  32       H     0.34     8.62     8.90     -74.05      -0.66     7.96     16
  33       H     0.20     0.54     7.75      -2.91      -0.02     0.52     16
  34       H     0.22    -2.42     6.40      -2.91      -0.02    -2.44     16
 Total:         -1.00  -102.46   315.38                 -6.26  -108.72