REAL300013458582.mol2 32                                                        
   1       O    -0.72   -51.82    17.96      19.05       0.34   -51.48     16
   2       C     0.49    32.50     7.41      71.24       0.53    33.02     16
   3       O    -0.71   -52.14    17.41      25.11       0.44   -51.70     16
   4       C     0.03     1.63     3.27      29.95       0.10     1.72     16
   5       C     0.14     5.70     5.90      86.36       0.51     6.21     16
   6       N    -0.62   -19.34     3.02    -835.30      -2.52   -21.87     16
   7       C     0.71    20.89     8.00     179.05       1.43    22.32     16
   8       O    -0.59   -20.51    13.55      -3.97      -0.05   -20.57     16
   9       N    -0.66   -14.45     5.25    -312.14      -1.64   -16.09     16
  10       C     0.20     4.03     6.47      40.07       0.26     4.29     16
  11       C    -0.11    -1.67     8.50      22.02       0.19    -1.49     16
  12       C     0.00     0.02     9.83      21.91       0.22     0.24     16
  13       C    -0.10    -0.72    10.27      23.94       0.25    -0.47     16
  14       C     0.19     3.52     7.36      44.12       0.32     3.85     16
  15       C     0.16     3.53     7.34      44.51       0.33     3.86     16
  16       N    -0.45   -12.66    19.00     -42.74      -0.81   -13.47     16
  17       N    -0.32    -7.41    19.04     -43.28      -0.82    -8.23     16
  18       C     0.07     1.73     6.57      86.35       0.57     2.30     16
  19       C     0.03     0.86     6.99      72.08       0.50     1.37     16
  20       O    -0.38   -17.17     9.93    -130.09      -1.29   -18.46     16
  21       H     0.06     2.87     8.14      -2.39      -0.02     2.85     16
  22       H     0.09     4.22     7.06      -2.39      -0.02     4.20     16
  23       H     0.07     3.17     8.14      -2.39      -0.02     3.15     16
  24       H     0.42     7.60     6.38     -92.70      -0.59     7.00     16
  25       H     0.15     2.67     6.31      -2.91      -0.02     2.65     16
  26       H     0.20    -0.58     8.06      -2.91      -0.02    -0.61     16
  27       H     0.21    -0.08     8.06      -2.91      -0.02    -0.10     16
  28       H     0.10     2.11     8.14      -2.39      -0.02     2.09     16
  29       H     0.12     1.80     5.78      -2.39      -0.01     1.79     16
  30       H     0.14     3.02     8.14      -2.39      -0.02     3.00     16
  31       H     0.05     1.47     8.14      -2.39      -0.02     1.46     16
 Total:         -1.00   -95.22   275.41                 -1.95   -97.18