REAL300009850831.mol2 39                                                        
   1       O    -0.72   -52.98    17.40      25.18       0.44   -52.54     16
   2       C     0.47    31.12     8.13      71.23       0.58    31.70     16
   3       O    -0.72   -51.12    18.00      19.03       0.34   -50.78     16
   4       C     0.02     1.04     5.30      71.23       0.38     1.41     16
   5       O    -0.32   -15.10     9.67     -73.61      -0.71   -15.81     16
   6       C     0.10     3.33     6.68      22.47       0.15     3.48     16
   7       C    -0.19    -4.47     9.03      22.42       0.20    -4.27     16
   8       C    -0.06    -0.76    10.03      22.22       0.22    -0.54     16
   9       C    -0.11    -1.21     7.36      22.53       0.17    -1.05     16
  10       C    -0.09    -1.84     5.00     -20.10      -0.10    -1.94     16
  11       C     0.57    11.28     7.24      86.79       0.63    11.91     16
  12       O    -0.56   -17.04    16.47      -3.86      -0.06   -17.10     16
  13       N    -0.58    -5.10     2.97    -822.27      -2.44    -7.54     16
  14       C     0.06    -0.12     5.38      86.36       0.46     0.35     16
  15       C    -0.11     0.52     6.08      30.67       0.19     0.71     16
  16       C    -0.17     0.13     4.84      30.62       0.15     0.28     16
  17       C     0.35     3.54     5.69      30.67       0.17     3.71     16
  18       O    -0.71   -26.53    17.78    -127.47      -2.27   -28.80     16
  19       O    -0.76   -23.17    17.65    -127.47      -2.25   -25.42     16
  20       C     0.07     0.72     6.42      86.36       0.55     1.27     16
  21       C    -0.13    -3.87     9.68      22.63       0.22    -3.65     16
  22       H     0.09     3.76     7.66      -2.39      -0.02     3.74     16
  23       H     0.09     3.64     7.66      -2.39      -0.02     3.62     16
  24       H     0.14     3.12     6.28      -2.91      -0.02     3.11     16
  25       H     0.18     0.68     8.06      -2.91      -0.02     0.66     16
  26       H     0.18     0.18     7.07      -2.91      -0.02     0.16     16
  27       H     0.13    -0.17     4.55      -2.39      -0.01    -0.18     16
  28       H     0.13    -1.16     8.14      -2.39      -0.02    -1.17     16
  29       H     0.08    -0.18     8.14      -2.39      -0.02    -0.20     16
  30       H     0.16    -1.82     8.14      -2.39      -0.02    -1.84     16
  31       H     0.12    -0.10     8.14      -2.39      -0.02    -0.12     16
  32       H     0.14    -0.59     6.83      -2.38      -0.02    -0.61     16
  33       H     0.16     1.41     8.14      -2.39      -0.02     1.39     16
  34       H     0.34    11.92     9.20     -74.06      -0.68    11.24     16
  35       H     0.32     5.89     7.00     -74.06      -0.52     5.37     16
  36       H     0.13     0.90     8.14      -2.39      -0.02     0.88     16
  37       H     0.10     1.86     7.03      -2.39      -0.02     1.84     16
  38       H     0.11     3.80     8.06      -2.91      -0.02     3.77     16
 Total:         -1.00  -118.51   325.03                 -4.47  -122.97