REAL300009850700.mol2 41                                                        
   1       C    -0.09    -2.78     8.09      71.98       0.58    -2.20     16
   2       C    -0.08    -2.91     2.70     -52.18      -0.14    -3.05     16
   3       C    -0.08    -3.27     8.09      71.98       0.58    -2.68     16
   4       C    -0.11    -4.10     9.23      30.60       0.28    -3.81     16
   5       C    -0.25   -11.19     2.56     -53.67      -0.14   -11.33     16
   6       C     0.51    29.23     7.59      71.24       0.54    29.77     16
   7       O    -0.71   -42.20    15.15      19.04       0.29   -41.91     16
   8       O    -0.70   -43.60    13.99      19.07       0.27   -43.34     16
   9       C     0.57    22.64     7.20      87.66       0.63    23.27     16
  10       O    -0.54   -20.47    10.51      -3.04      -0.03   -20.51     16
  11       N    -0.66   -23.59     5.18    -303.58      -1.57   -25.16     16
  12       C     0.17     4.58     6.28      38.24       0.24     4.82     16
  13       C    -0.13    -2.52     9.69      22.67       0.22    -2.30     16
  14       C    -0.03    -0.43     5.74     -21.26      -0.12    -0.55     16
  15       C    -0.02    -0.17     9.73      22.30       0.22     0.05     16
  16       C    -0.11    -1.61     9.65      22.23       0.21    -1.40     16
  17       C     0.32     6.99     9.78      22.86       0.22     7.21     16
  18       O    -0.73   -26.56    17.20    -127.47      -2.19   -28.75     16
  19       O    -0.75   -28.16    17.19    -127.47      -2.19   -30.35     16
  20       C    -0.07    -1.24     9.49      22.79       0.22    -1.02     16
  21       C    -0.04    -0.66     5.74     -21.28      -0.12    -0.78     16
  22       C    -0.06    -1.18     9.74      22.34       0.22    -0.97     16
  23       C    -0.12    -2.95     8.59      22.16       0.19    -2.76     16
  24       H     0.05     1.70     7.26      -2.39      -0.02     1.69     16
  25       H     0.07     1.95     7.92      -2.39      -0.02     1.93     16
  26       H     0.06     1.95     7.01      -2.39      -0.02     1.94     16
  27       H     0.04     1.90     7.01      -2.39      -0.02     1.88     16
  28       H     0.07     2.30     7.92      -2.39      -0.02     2.28     16
  29       H     0.04     1.68     7.25      -2.39      -0.02     1.67     16
  30       H     0.10     3.55     8.05      -2.39      -0.02     3.53     16
  31       H     0.12     3.59     8.05      -2.39      -0.02     3.58     16
  32       H     0.43    16.69     6.04     -92.71      -0.56    16.13     16
  33       H     0.17     2.43     8.06      -2.91      -0.02     2.41     16
  34       H     0.22     0.23     8.06      -2.91      -0.02     0.21     16
  35       H     0.19     2.43     7.73      -2.92      -0.02     2.41     16
  36       H     0.33    10.57     8.90     -74.06      -0.66     9.91     16
  37       H     0.33    10.89     8.90     -74.06      -0.66    10.23     16
  38       H     0.18     3.27     7.73      -2.91      -0.02     3.25     16
  39       H     0.17     2.22     8.06      -2.91      -0.02     2.20     16
  40       H     0.14     4.02     6.19      -2.91      -0.02     4.00     16
 Total:         -1.00   -84.77   339.27                 -3.75   -88.53