REAL300020005013.mol2 35                                                        
   1       O    -0.54   -11.47    14.02      -3.84      -0.05   -11.52     16
   2       C     0.56     6.43     7.51      86.85       0.65     7.09     16
   3       N    -0.64    -5.63     5.28    -305.85      -1.61    -7.25     16
   4       C     0.14     2.87     6.28      38.24       0.24     3.11     16
   5       C    -0.12    -3.24     8.64      22.36       0.19    -3.04     16
   6       C    -0.09    -3.43     9.69      22.45       0.22    -3.21     16
   7       C    -0.01    -0.59     5.88     -20.02      -0.12    -0.71     16
   8       C     0.09     5.07     7.93     137.41       1.09     6.16     16
   9       N    -0.40   -24.09    12.15     -52.24      -0.63   -24.73     16
  10       N    -0.21   -13.74    13.45      37.02       0.50   -13.24     16
  11       N    -0.21   -13.53    13.45      37.02       0.50   -13.03     16
  12       N    -0.39   -23.18    12.15     -52.24      -0.63   -23.82     16
  13       C    -0.09    -2.83     9.69      22.45       0.22    -2.61     16
  14       C    -0.11    -2.35     9.95      22.36       0.22    -2.13     16
  15       C    -0.10    -0.45     5.88     -20.04      -0.12    -0.57     16
  16       C    -0.01     0.03     9.53      22.52       0.21     0.25     16
  17       C    -0.10    -0.14    10.08      22.40       0.23     0.08     16
  18       C     0.29     3.43    10.27      22.77       0.23     3.66     16
  19       O    -0.66   -19.43    18.54    -128.57      -2.38   -21.81     16
  20       O    -0.51   -14.68    15.05    -128.57      -1.94   -16.62     16
  21       C     0.08     1.25     7.74      71.19       0.55     1.80     16
  22       C    -0.08    -0.79     6.30     -19.71      -0.12    -0.92     16
  23       C    -0.02    -0.15     9.58      22.50       0.22     0.07     16
  24       H     0.43    -0.84     6.85     -92.71      -0.64    -1.47     16
  25       H     0.14     3.66     6.41      -2.91      -0.02     3.64     16
  26       H     0.11     4.56     7.88      -2.91      -0.02     4.54     16
  27       H     0.13     4.34     7.88      -2.91      -0.02     4.32     16
  28       H     0.18     1.79     8.06      -2.91      -0.02     1.77     16
  29       H     0.22    -2.75     6.40      -2.91      -0.02    -2.77     16
  30       H     0.21    -0.63     8.06      -2.91      -0.02    -0.66     16
  31       H     0.35     9.00     9.30     -74.06      -0.69     8.31     16
  32       H     0.09     1.17     8.14      -2.39      -0.02     1.16     16
  33       H     0.09     1.21     8.14      -2.39      -0.02     1.19     16
  34       H     0.19     1.16     7.64      -2.91      -0.02     1.14     16
 Total:         -1.00   -97.98   313.77                 -3.86  -101.84