REAL300013458579.mol2 34                                                        
   1       O    -0.72   -51.37    16.93      19.06       0.32   -51.05     16
   2       C     0.47    31.37     8.05      71.24       0.57    31.94     16
   3       O    -0.75   -55.12    18.00      19.04       0.34   -54.78     16
   4       C    -0.14    -6.72     5.91      29.10       0.17    -6.55     16
   5       C    -0.04    -1.72     4.37     -19.88      -0.09    -1.81     16
   6       C    -0.14    -5.45     9.70      22.29       0.22    -5.23     16
   7       C    -0.10    -3.09    10.04      22.25       0.22    -2.86     16
   8       C    -0.13    -4.21     8.69      22.39       0.19    -4.01     16
   9       C     0.16     4.96     6.29      38.15       0.24     5.20     16
  10       N    -0.66   -15.64     5.34    -317.18      -1.69   -17.33     16
  11       C     0.71    15.36     8.22     179.06       1.47    16.83     16
  12       O    -0.56   -14.00    11.18      -4.00      -0.04   -14.04     16
  13       N    -0.66   -10.93     5.34    -312.15      -1.67   -12.59     16
  14       C     0.20     3.09     6.51      40.07       0.26     3.36     16
  15       C    -0.11    -1.07     8.55      22.02       0.19    -0.89     16
  16       C     0.00     0.00     9.83      21.91       0.22     0.22     16
  17       C    -0.10    -0.47    10.27      23.94       0.25    -0.23     16
  18       C     0.19     3.11     7.36      44.12       0.32     3.43     16
  19       C     0.16     3.16     7.34      44.51       0.33     3.49     16
  20       N    -0.45   -11.92    19.00     -42.74      -0.81   -12.73     16
  21       N    -0.33    -7.27    19.05     -43.27      -0.82    -8.09     16
  22       C    -0.15    -5.46     9.62      22.39       0.22    -5.24     16
  23       H     0.09     3.98     8.08      -2.39      -0.02     3.96     16
  24       H     0.09     3.93     8.09      -2.39      -0.02     3.91     16
  25       H     0.12     4.40     8.06      -2.91      -0.02     4.38     16
  26       H     0.15     3.78     8.06      -2.91      -0.02     3.75     16
  27       H     0.15     4.24     6.24      -2.91      -0.02     4.22     16
  28       H     0.42     7.82     8.85     -92.71      -0.82     7.00     16
  29       H     0.42     5.79     8.85     -92.71      -0.82     4.97     16
  30       H     0.17     1.97     6.03      -2.91      -0.02     1.96     16
  31       H     0.20    -1.26     8.06      -2.91      -0.02    -1.28     16
  32       H     0.20    -0.45     8.06      -2.91      -0.02    -0.48     16
  33       H     0.12     4.35     8.06      -2.91      -0.02     4.32     16
 Total:         -1.00   -94.84   302.02                 -1.43   -96.27