REAL300009850716.mol2 35                                                        
   1       O    -0.71   -51.29    17.81      17.74       0.32   -50.97     16
   2       C     0.54    36.54     8.06      70.24       0.57    37.11     16
   3       O    -0.71   -52.10    17.99      17.77       0.32   -51.78     16
   4       C    -0.06    -3.08     7.10      42.21       0.30    -2.78     16
   5       N    -0.23    -9.47    12.20     -48.55      -0.59   -10.06     16
   6       N    -0.34    -8.66     6.84     -48.70      -0.33    -8.99     16
   7       C    -0.04    -1.15     7.10      40.43       0.29    -0.86     16
   8       C     0.62    12.66     7.52      86.59       0.65    13.31     16
   9       O    -0.52   -14.24    14.56      -4.14      -0.06   -14.30     16
  10       N    -0.65    -5.74     5.31    -306.74      -1.63    -7.36     16
  11       C     0.17     1.36     6.25      38.27       0.24     1.60     16
  12       C    -0.11    -0.12     9.69      22.68       0.22     0.10     16
  13       C    -0.03    -0.10     5.74     -21.26      -0.12    -0.22     16
  14       C    -0.01     0.01     9.73      22.30       0.22     0.23     16
  15       C    -0.12    -0.85     9.65      22.23       0.21    -0.63     16
  16       C     0.32     5.14     9.78      22.86       0.22     5.36     16
  17       O    -0.73   -23.89    17.20    -127.47      -2.19   -26.08     16
  18       O    -0.75   -25.89    17.19    -127.47      -2.19   -28.08     16
  19       C    -0.08    -0.92     9.49      22.79       0.22    -0.70     16
  20       C    -0.03    -0.26     5.74     -21.28      -0.12    -0.38     16
  21       C    -0.07    -0.63     9.74      22.34       0.22    -0.41     16
  22       C    -0.11    -1.31     8.54      22.16       0.19    -1.12     16
  23       C    -0.12    -5.06    10.55      22.67       0.24    -4.82     16
  24       H     0.47     5.23     8.20    -220.01      -1.80     3.43     16
  25       H     0.43     0.17     7.97     -92.71      -0.74    -0.57     16
  26       H     0.19    -1.42     8.06      -2.91      -0.02    -1.44     16
  27       H     0.23    -2.41     8.06      -2.91      -0.02    -2.43     16
  28       H     0.18     1.26     7.73      -2.91      -0.02     1.23     16
  29       H     0.33     9.53     8.90     -74.05      -0.66     8.87     16
  30       H     0.33     9.97     8.90     -74.06      -0.66     9.31     16
  31       H     0.18     2.31     7.73      -2.91      -0.02     2.29     16
  32       H     0.16     0.97     8.06      -2.91      -0.02     0.94     16
  33       H     0.13     2.16     6.39      -2.91      -0.02     2.15     16
  34       H     0.16     6.68     8.06      -2.91      -0.02     6.65     16
 Total:         -1.00  -114.57   321.86                 -6.85  -121.42