REAL300020013425.mol2 39                                                        
   1       O    -0.54    -9.61    13.77      -3.84      -0.05    -9.66     16
   2       C     0.56     4.66     7.62      86.85       0.66     5.32     16
   3       N    -0.64    -3.18     5.28    -305.81      -1.62    -4.80     16
   4       C     0.10     1.36     6.30      38.14       0.24     1.60     16
   5       C    -0.08    -1.01     9.96      22.39       0.22    -0.79     16
   6       C    -0.20    -4.15     9.03      22.35       0.20    -3.95     16
   7       C     0.10     3.11     6.69      22.50       0.15     3.26     16
   8       O    -0.34   -13.65    10.12     -93.18      -0.94   -14.60     16
   9       C     0.19     7.52     5.36      71.24       0.38     7.90     16
  10       C     0.05     2.66     7.99     138.59       1.11     3.77     16
  11       N    -0.39   -23.30    12.43     -51.29      -0.64   -23.93     16
  12       N    -0.21   -13.42    13.47      37.02       0.50   -12.92     16
  13       N    -0.21   -13.36    13.47      37.02       0.50   -12.86     16
  14       N    -0.39   -23.10    12.43     -51.29      -0.64   -23.74     16
  15       C    -0.16    -4.36     9.98      22.35       0.22    -4.14     16
  16       C    -0.08    -1.74     8.69      22.38       0.19    -1.54     16
  17       C    -0.10    -0.21     5.88     -20.04      -0.12    -0.33     16
  18       C    -0.01     0.06     9.53      22.52       0.21     0.27     16
  19       C    -0.10     0.02    10.08      22.41       0.23     0.25     16
  20       C     0.29     3.01    10.27      22.77       0.23     3.25     16
  21       O    -0.66   -18.81    18.54    -128.57      -2.38   -21.19     16
  22       O    -0.52   -14.20    15.05    -128.57      -1.94   -16.14     16
  23       C     0.08     1.15     7.74      71.19       0.55     1.70     16
  24       C    -0.08    -0.68     6.30     -19.71      -0.12    -0.80     16
  25       C    -0.02    -0.11     9.58      22.50       0.22     0.11     16
  26       H     0.43    -2.26     6.86     -92.71      -0.64    -2.90     16
  27       H     0.18     0.64     8.06      -2.91      -0.02     0.61     16
  28       H     0.15     2.74     6.29      -2.91      -0.02     2.72     16
  29       H     0.10     3.25     7.66      -2.39      -0.02     3.23     16
  30       H     0.09     3.21     7.66      -2.38      -0.02     3.19     16
  31       H     0.12     3.51     8.06      -2.91      -0.02     3.48     16
  32       H     0.14     3.02     6.22      -2.91      -0.02     3.01     16
  33       H     0.22    -3.27     6.40      -2.91      -0.02    -3.29     16
  34       H     0.21    -0.95     8.06      -2.91      -0.02    -0.97     16
  35       H     0.35     8.70     9.30     -74.06      -0.69     8.01     16
  36       H     0.09     1.07     8.14      -2.38      -0.02     1.05     16
  37       H     0.09     1.09     8.14      -2.39      -0.02     1.07     16
  38       H     0.19     0.79     7.64      -2.91      -0.02     0.77     16
 Total:         -1.00   -99.80   344.03                 -4.17  -103.97