REAL300020044768.mol2 36                                                        
   1       O    -0.54   -15.49    14.03      -3.82      -0.05   -15.54     16
   2       C     0.56     9.10     7.51      86.85       0.65     9.75     16
   3       N    -0.64    -7.51     5.28    -305.97      -1.62    -9.13     16
   4       C     0.17     3.76     6.27      38.16       0.24     4.00     16
   5       C    -0.14    -2.38     9.96      22.42       0.22    -2.16     16
   6       C    -0.06    -1.57    10.03      22.23       0.22    -1.35     16
   7       C    -0.18    -7.26     9.40      22.41       0.21    -7.05     16
   8       C     0.16     7.23     6.69      38.09       0.25     7.49     16
   9       N    -0.45   -25.04     3.80    -316.31      -1.20   -26.24     16
  10       N    -0.08    -4.64    12.85      37.02       0.48    -4.17     16
  11       N    -0.06    -3.33    13.66      37.02       0.51    -2.82     16
  12       N    -0.55   -34.48    12.93    -184.05      -2.38   -36.86     16
  13       C     0.54    33.77     9.05     178.88       1.62    35.39     16
  14       O    -0.63   -40.61    15.32      -4.69      -0.07   -40.68     16
  15       C    -0.15    -5.60     8.27      22.51       0.19    -5.42     16
  16       C    -0.10    -0.84     5.88     -20.04      -0.12    -0.96     16
  17       C    -0.01     0.01     9.53      22.52       0.21     0.22     16
  18       C    -0.10    -0.28    10.08      22.41       0.23    -0.06     16
  19       C     0.29     4.00    10.27      22.77       0.23     4.24     16
  20       O    -0.65   -19.60    18.54    -128.57      -2.38   -21.99     16
  21       O    -0.51   -15.70    15.05    -128.57      -1.94   -17.63     16
  22       C     0.08     1.48     7.74      71.19       0.55     2.03     16
  23       C    -0.08    -1.04     6.30     -19.71      -0.12    -1.17     16
  24       C    -0.03    -0.29     9.58      22.50       0.22    -0.08     16
  25       H     0.44    -0.27     6.86     -92.71      -0.64    -0.91     16
  26       H     0.19     1.00     8.06      -2.91      -0.02     0.98     16
  27       H     0.17     2.82     8.06      -2.91      -0.02     2.80     16
  28       H     0.12     5.57     5.52      -2.91      -0.02     5.56     16
  29       H     0.12     4.97     6.07      -2.91      -0.02     4.96     16
  30       H     0.23    -2.52     6.40      -2.91      -0.02    -2.54     16
  31       H     0.21    -0.52     8.06      -2.91      -0.02    -0.54     16
  32       H     0.35     9.22     9.30     -74.06      -0.69     8.53     16
  33       H     0.09     1.44     8.14      -2.39      -0.02     1.42     16
  34       H     0.08     1.44     8.14      -2.39      -0.02     1.42     16
  35       H     0.18     2.15     7.64      -2.91      -0.02     2.13     16
 Total:         -1.00  -101.01   320.24                 -5.36  -106.37