REAL300009850664.mol2 39                                                        
   1       O    -0.72   -53.92    17.40      25.14       0.44   -53.48     16
   2       C     0.47    31.83     8.13      71.24       0.58    32.41     16
   3       O    -0.72   -51.95    18.00      19.06       0.34   -51.61     16
   4       C     0.02     1.06     5.30      71.24       0.38     1.44     16
   5       O    -0.32   -15.73     9.67     -73.50      -0.71   -16.44     16
   6       C     0.10     3.43     6.68      22.47       0.15     3.58     16
   7       C    -0.20    -4.93     9.03      22.42       0.20    -4.73     16
   8       C    -0.06    -0.87    10.03      22.22       0.22    -0.64     16
   9       C    -0.12    -1.30     7.36      22.53       0.17    -1.14     16
  10       C    -0.10    -2.03     5.00     -20.10      -0.10    -2.13     16
  11       C     0.58    10.38     7.24      86.79       0.63    11.00     16
  12       O    -0.55   -15.07    16.47      -3.88      -0.06   -15.13     16
  13       N    -0.61    -4.03     2.98    -823.15      -2.45    -6.48     16
  14       C     0.12    -0.08     5.34      86.22       0.46     0.38     16
  15       C    -0.18    -0.99     5.27      30.53       0.16    -0.83     16
  16       C     0.39     2.77     5.89      30.62       0.18     2.95     16
  17       O    -0.77   -24.88    16.88    -127.47      -2.15   -27.04     16
  18       O    -0.78   -25.55    16.88    -127.47      -2.15   -27.71     16
  19       C    -0.18    -1.25     5.29      30.67       0.16    -1.09     16
  20       C     0.14     0.37     6.43      86.37       0.55     0.93     16
  21       C    -0.13    -4.15     9.68      22.63       0.22    -3.94     16
  22       H     0.09     3.81     7.67      -2.39      -0.02     3.79     16
  23       H     0.09     3.86     7.64      -2.39      -0.02     3.84     16
  24       H     0.14     3.36     6.28      -2.91      -0.02     3.34     16
  25       H     0.18     0.90     8.06      -2.92      -0.02     0.88     16
  26       H     0.19    -0.02     7.07      -2.91      -0.02    -0.04     16
  27       H     0.14     0.13     4.56      -2.39      -0.01     0.12     16
  28       H     0.16    -1.85     8.14      -2.39      -0.02    -1.87     16
  29       H     0.14     0.71     7.88      -2.39      -0.02     0.69     16
  30       H     0.08     1.04     8.14      -2.38      -0.02     1.02     16
  31       H     0.21    -1.10     8.14      -2.38      -0.02    -1.12     16
  32       H     0.32    10.01     8.90     -74.06      -0.66     9.35     16
  33       H     0.32    10.08     8.90     -74.06      -0.66     9.42     16
  34       H     0.13     0.96     7.88      -2.39      -0.02     0.94     16
  35       H     0.08     1.13     8.14      -2.39      -0.02     1.11     16
  36       H     0.15    -1.02     8.14      -2.39      -0.02    -1.04     16
  37       H     0.12     0.88     7.02      -2.39      -0.02     0.86     16
  38       H     0.11     3.91     8.06      -2.91      -0.02     3.88     16
 Total:         -1.00  -120.10   325.57                 -4.39  -124.49