REAL300019772824.mol2 35                                                        
   1       O    -0.54   -10.42    14.02      -3.83      -0.05   -10.47     16
   2       C     0.56     5.94     7.52      86.85       0.65     6.59     16
   3       N    -0.64    -5.85     5.29    -305.82      -1.62    -7.47     16
   4       C     0.12     2.52     6.28      38.17       0.24     2.76     16
   5       C    -0.09    -2.34     8.65      22.38       0.19    -2.14     16
   6       C    -0.13    -4.41     9.66      22.37       0.22    -4.20     16
   7       C     0.14     5.97     6.69      38.10       0.25     6.22     16
   8       N    -0.45   -23.87     3.80    -316.13      -1.20   -25.07     16
   9       N    -0.08    -4.42    12.85      37.02       0.48    -3.95     16
  10       N    -0.06    -3.16    13.66      37.02       0.51    -2.66     16
  11       N    -0.54   -33.36    12.93    -184.03      -2.38   -35.74     16
  12       C     0.54    32.50     9.05     178.88       1.62    34.11     16
  13       O    -0.63   -39.18    15.32      -4.70      -0.07   -39.25     16
  14       C    -0.15    -5.55     9.39      22.37       0.21    -5.34     16
  15       C    -0.09    -2.16     9.96      22.38       0.22    -1.94     16
  16       C    -0.11    -0.37     5.88     -20.04      -0.12    -0.49     16
  17       C    -0.01     0.02     9.53      22.50       0.21     0.23     16
  18       C    -0.10    -0.36     9.73      22.45       0.22    -0.14     16
  19       C     0.35     4.03     9.79      22.80       0.22     4.26     16
  20       O    -0.74   -22.37    17.23    -127.47      -2.20   -24.56     16
  21       O    -0.73   -21.17    17.23    -127.47      -2.20   -23.37     16
  22       C    -0.11    -0.73     9.74      22.45       0.22    -0.52     16
  23       C     0.00     0.01     9.58      22.50       0.22     0.23     16
  24       H     0.43    -0.31     6.86     -92.71      -0.64    -0.94     16
  25       H     0.15     3.51     6.41      -2.91      -0.02     3.49     16
  26       H     0.13     4.59     7.70      -2.91      -0.02     4.57     16
  27       H     0.13     5.64     5.52      -2.91      -0.02     5.63     16
  28       H     0.17     2.47     8.06      -2.91      -0.02     2.45     16
  29       H     0.22    -2.33     6.40      -2.91      -0.02    -2.35     16
  30       H     0.19     0.57     7.75      -2.91      -0.02     0.55     16
  31       H     0.34     8.79     8.90     -74.06      -0.66     8.13     16
  32       H     0.34     8.51     8.90     -74.06      -0.66     7.86     16
  33       H     0.19     1.42     7.75      -2.91      -0.02     1.39     16
  34       H     0.20     0.46     7.64      -2.91      -0.02     0.43     16
 Total:         -1.00   -95.42   315.66                 -6.27  -101.70