REAL300009850689.mol2 39                                                        
   1       O    -0.70   -47.51    17.45      25.03       0.44   -47.08     16
   2       C     0.49    30.66     6.80      71.24       0.48    31.14     16
   3       O    -0.71   -49.19    17.83      19.04       0.34   -48.85     16
   4       C     0.03     1.50     1.00     -11.62      -0.01     1.49     16
   5       C     0.53    21.87     6.27      87.66       0.55    22.42     16
   6       O    -0.53   -23.05    13.20      -3.05      -0.04   -23.09     16
   7       N    -0.66   -20.90     5.21    -303.57      -1.58   -22.48     16
   8       C     0.16     4.02     6.28      38.24       0.24     4.26     16
   9       C    -0.11    -1.64     9.69      22.67       0.22    -1.42     16
  10       C    -0.03    -0.38     5.74     -21.25      -0.12    -0.50     16
  11       C    -0.01    -0.06     9.73      22.31       0.22     0.16     16
  12       C    -0.11    -1.37     9.65      22.23       0.21    -1.15     16
  13       C     0.32     6.66     9.78      22.86       0.22     6.89     16
  14       O    -0.75   -28.11    17.19    -127.47      -2.19   -30.30     16
  15       O    -0.73   -25.64    17.20    -127.47      -2.19   -27.83     16
  16       C    -0.07    -1.30     9.49      22.79       0.22    -1.08     16
  17       C    -0.03    -0.56     5.74     -21.28      -0.12    -0.68     16
  18       C    -0.07    -1.29     9.74      22.34       0.22    -1.07     16
  19       C    -0.12    -3.18     8.59      22.16       0.19    -2.99     16
  20       C    -0.12    -4.83     5.89      32.14       0.19    -4.64     16
  21       C    -0.14    -3.73     6.80      31.95       0.22    -3.51     16
  22       C     0.03     0.88     7.79      72.45       0.56     1.44     16
  23       O    -0.36   -14.60     9.80    -130.56      -1.28   -15.88     16
  24       H     0.43    12.56     8.45     -92.71      -0.78    11.78     16
  25       H     0.19     1.28     8.06      -2.91      -0.02     1.25     16
  26       H     0.23    -0.80     8.06      -2.91      -0.02    -0.82     16
  27       H     0.19     2.01     7.73      -2.91      -0.02     1.98     16
  28       H     0.33    10.82     8.90     -74.06      -0.66    10.16     16
  29       H     0.33    10.28     8.90     -74.05      -0.66     9.62     16
  30       H     0.18     3.26     7.73      -2.91      -0.02     3.24     16
  31       H     0.16     2.47     8.06      -2.91      -0.02     2.45     16
  32       H     0.12     4.20     6.18      -2.91      -0.02     4.19     16
  33       H     0.09     3.57     7.18      -2.39      -0.02     3.55     16
  34       H     0.07     2.93     8.05      -2.39      -0.02     2.92     16
  35       H     0.12     2.33     8.14      -2.39      -0.02     2.31     16
  36       H     0.08     2.08     8.14      -2.39      -0.02     2.06     16
  37       H     0.08     2.08     8.14      -2.39      -0.02     2.06     16
  38       H     0.10     2.01     8.14      -2.39      -0.02     1.99     16
 Total:         -1.00  -100.66   336.73                 -5.37  -106.03