REAL300009850677.mol2 37                                                        
   1       O    -0.72   -48.49    17.31      17.90       0.31   -48.18     16
   2       C     0.51    31.29     8.02      70.33       0.56    31.85     16
   3       O    -0.71   -47.46    17.27      17.91       0.31   -47.15     16
   4       C    -0.19    -8.72     5.89     -19.95      -0.12    -8.84     16
   5       C    -0.05    -1.79     9.71      22.75       0.22    -1.57     16
   6       C    -0.11    -3.22     9.62      22.58       0.22    -3.00     16
   7       C     0.06     1.72     6.75      41.94       0.28     2.00     16
   8       C     0.59    13.14     7.54      86.93       0.66    13.80     16
   9       O    -0.52   -13.13    13.97      -3.68      -0.05   -13.18     16
  10       N    -0.65    -9.64     5.30    -305.77      -1.62   -11.26     16
  11       C     0.17     1.98     6.25      38.27       0.24     2.22     16
  12       C    -0.12    -0.63     9.69      22.68       0.22    -0.41     16
  13       C    -0.03    -0.18     5.74     -21.25      -0.12    -0.30     16
  14       C    -0.01    -0.02     9.73      22.31       0.22     0.20     16
  15       C    -0.12    -1.03     9.65      22.23       0.21    -0.82     16
  16       C     0.32     5.42     9.78      22.86       0.22     5.65     16
  17       O    -0.74   -24.43    17.20    -127.47      -2.19   -26.63     16
  18       O    -0.75   -25.93    17.19    -127.47      -2.19   -28.13     16
  19       C    -0.07    -0.92     9.49      22.79       0.22    -0.71     16
  20       C    -0.03    -0.32     5.74     -21.28      -0.12    -0.44     16
  21       C    -0.07    -0.64     9.74      22.34       0.22    -0.42     16
  22       C    -0.11    -1.43     8.54      22.16       0.19    -1.24     16
  23       N    -0.45   -13.48     9.53    -183.81      -1.75   -15.23     16
  24       C     0.14     5.22    10.76      85.15       0.92     6.14     16
  25       H     0.14     5.56     7.72      -2.91      -0.02     5.53     16
  26       H     0.17     4.15     7.63      -2.91      -0.02     4.13     16
  27       H     0.44     5.18     8.14     -92.71      -0.75     4.42     16
  28       H     0.18    -0.22     8.06      -2.91      -0.02    -0.25     16
  29       H     0.22    -1.63     8.06      -2.91      -0.02    -1.65     16
  30       H     0.18     1.54     7.73      -2.91      -0.02     1.52     16
  31       H     0.33     9.70     8.90     -74.06      -0.66     9.04     16
  32       H     0.33    10.01     8.90     -74.05      -0.66     9.35     16
  33       H     0.18     2.34     7.73      -2.91      -0.02     2.32     16
  34       H     0.16     0.92     8.06      -2.91      -0.02     0.89     16
  35       H     0.14     2.21     6.39      -2.91      -0.02     2.19     16
  36       H     0.17     6.48     7.65      -2.91      -0.02     6.46     16
 Total:         -1.00   -96.46   335.40                 -5.23  -101.69