REAL300013458622.mol2 34                                                        
   1       O    -0.73   -53.53    17.24      17.82       0.31   -53.23     16
   2       C     0.50    34.00     8.01      70.28       0.56    34.56     16
   3       O    -0.73   -54.14    17.25      17.77       0.31   -53.83     16
   4       C    -0.19    -9.55     5.87     -20.11      -0.12    -9.67     16
   5       C    -0.07    -2.75     9.25      22.55       0.21    -2.54     16
   6       C    -0.12    -3.35     5.24     -19.90      -0.10    -3.45     16
   7       C     0.19     4.24     5.80      85.63       0.50     4.74     16
   8       N    -0.72   -14.12     5.55    -482.31      -2.68   -16.80     16
   9       C     0.71    14.48     8.33     179.06       1.49    15.97     16
  10       O    -0.58   -13.93    13.50      -3.98      -0.05   -13.98     16
  11       N    -0.66   -11.76     5.36    -312.15      -1.67   -13.43     16
  12       C     0.22     3.75     6.64      40.07       0.27     4.01     16
  13       C    -0.15    -1.81     8.58      22.02       0.19    -1.62     16
  14       C     0.02     0.08     9.83      21.91       0.22     0.29     16
  15       C    -0.12    -0.72    10.27      23.94       0.25    -0.47     16
  16       C     0.20     3.37     7.36      44.12       0.32     3.70     16
  17       C     0.15     3.16     7.33      44.50       0.33     3.48     16
  18       N    -0.46   -12.58    18.95     -42.74      -0.81   -13.39     16
  19       N    -0.31    -6.82    19.04     -43.28      -0.82    -7.65     16
  20       C    -0.08    -1.84     9.69      22.34       0.22    -1.62     16
  21       C    -0.12    -3.60    10.03      22.23       0.22    -3.38     16
  22       C    -0.09    -3.65     9.60      22.55       0.22    -3.44     16
  23       H     0.11     4.87     7.65      -2.91      -0.02     4.85     16
  24       H     0.07     1.78     8.08      -2.39      -0.02     1.76     16
  25       H     0.10     1.83     8.08      -2.39      -0.02     1.81     16
  26       H     0.41     7.20     8.49     -92.71      -0.79     6.41     16
  27       H     0.42     6.70     8.77     -92.70      -0.81     5.88     16
  28       H     0.17     2.44     5.60      -2.91      -0.02     2.43     16
  29       H     0.20    -0.88     8.06      -2.91      -0.02    -0.91     16
  30       H     0.20    -0.22     8.06      -2.91      -0.02    -0.24     16
  31       H     0.17     2.53     8.06      -2.91      -0.02     2.51     16
  32       H     0.16     3.34     8.06      -2.91      -0.02     3.32     16
  33       H     0.11     4.93     7.65      -2.91      -0.02     4.91     16
 Total:         -1.00   -96.57   305.27                 -2.46   -99.02