REAL300013458619.mol2 34                                                        
   1       O    -0.74   -55.55    18.00      19.04       0.34   -55.21     16
   2       C     0.48    31.67     7.00      71.24       0.50    32.17     16
   3       O    -0.72   -50.99    17.31      19.05       0.33   -50.66     16
   4       C    -0.15    -7.50     2.73     -11.47      -0.03    -7.53     16
   5       H     0.06     2.80     8.14      -2.38      -0.02     2.78     16
   6       C    -0.09    -3.63     4.87      30.62       0.15    -3.48     16
   7       C    -0.12    -3.24     6.08      30.67       0.19    -3.05     16
   8       C     0.11     2.36     6.43      86.36       0.56     2.92     16
   9       N    -0.61   -19.09     2.97    -836.96      -2.49   -21.58     16
  10       C     0.71    21.24     8.13     179.05       1.46    22.70     16
  11       O    -0.59   -20.79    13.00      -3.97      -0.05   -20.84     16
  12       N    -0.66   -15.06     5.25    -312.13      -1.64   -16.70     16
  13       C     0.20     4.24     6.56      40.07       0.26     4.50     16
  14       C    -0.12    -2.00     8.58      22.02       0.19    -1.81     16
  15       C     0.00     0.04     9.83      21.91       0.22     0.25     16
  16       C    -0.10    -0.87    10.27      23.94       0.25    -0.62     16
  17       C     0.19     3.73     7.36      44.12       0.32     4.06     16
  18       C     0.16     3.68     7.34      44.51       0.33     4.01     16
  19       N    -0.45   -13.01    19.00     -42.73      -0.81   -13.82     16
  20       N    -0.32    -7.70    19.04     -43.27      -0.82    -8.52     16
  21       C     0.17     6.96     5.68      86.35       0.49     7.45     16
  22       H     0.07     2.66     7.92      -2.39      -0.02     2.64     16
  23       H     0.05     1.91     8.14      -2.39      -0.02     1.89     16
  24       H     0.06     1.64     8.14      -2.39      -0.02     1.62     16
  25       H     0.11     2.15     8.14      -2.39      -0.02     2.14     16
  26       H     0.10     1.64     5.56      -2.39      -0.01     1.62     16
  27       H     0.10     1.90     8.14      -2.39      -0.02     1.88     16
  28       H     0.42     8.00     6.28     -92.71      -0.58     7.42     16
  29       H     0.16     3.12     5.81      -2.91      -0.02     3.10     16
  30       H     0.20    -0.32     8.06      -2.91      -0.02    -0.34     16
  31       H     0.21     0.15     8.06      -2.91      -0.02     0.12     16
  32       H     0.07     3.26     7.04      -2.38      -0.02     3.24     16
  33       H     0.07     3.02     8.14      -2.39      -0.02     3.00     16
 Total:         -1.00   -93.57   283.01                 -1.08   -94.66