REAL300009850725.mol2 42                                                        
   1       O    -0.72   -55.15    17.40      25.15       0.44   -54.71     16
   2       C     0.47    32.43     8.13      71.24       0.58    33.01     16
   3       O    -0.72   -52.57    18.00      19.06       0.34   -52.22     16
   4       C     0.02     1.11     5.30      71.24       0.38     1.48     16
   5       O    -0.33   -16.51     9.67     -73.52      -0.71   -17.22     16
   6       C     0.10     3.54     6.68      22.47       0.15     3.69     16
   7       C    -0.20    -5.15     9.03      22.42       0.20    -4.94     16
   8       C    -0.06    -0.95    10.03      22.22       0.22    -0.72     16
   9       C    -0.11    -1.37     7.38      22.53       0.17    -1.20     16
  10       C    -0.10    -2.22     4.88     -20.10      -0.10    -2.32     16
  11       C     0.56    11.22     7.18      86.79       0.62    11.84     16
  12       O    -0.56   -16.57    16.44      -3.90      -0.06   -16.64     16
  13       N    -0.60    -4.27     2.23    -820.41      -1.83    -6.09     16
  14       C     0.07    -0.11     4.73      86.49       0.41     0.30     16
  15       C    -0.11     0.45     5.71      30.23       0.17     0.63     16
  16       C    -0.17    -1.55     4.61      29.76       0.14    -1.41     16
  17       C     0.40     4.50     4.83      28.61       0.14     4.64     16
  18       O    -0.78   -27.59    17.78    -127.47      -2.27   -29.86     16
  19       O    -0.78   -31.09    16.84    -127.47      -2.15   -33.24     16
  20       C    -0.22    -2.40     5.75      29.59       0.17    -2.23     16
  21       C     0.16     0.45     5.46      87.57       0.48     0.93     16
  22       C    -0.14    -4.65     9.66      22.63       0.22    -4.43     16
  23       H     0.09     3.93     7.66      -2.39      -0.02     3.91     16
  24       H     0.09     3.97     7.66      -2.39      -0.02     3.95     16
  25       H     0.14     3.50     6.28      -2.91      -0.02     3.48     16
  26       H     0.18     1.01     8.06      -2.91      -0.02     0.98     16
  27       H     0.19     0.25     6.75      -2.91      -0.02     0.23     16
  28       H     0.10     0.25     4.84      -2.39      -0.01     0.23     16
  29       H     0.14    -1.40     7.90      -2.39      -0.02    -1.42     16
  30       H     0.14    -0.99     8.14      -2.39      -0.02    -1.01     16
  31       H     0.13    -1.59     7.31      -2.39      -0.02    -1.61     16
  32       H     0.07     1.21     7.48      -2.39      -0.02     1.19     16
  33       H     0.12     1.54     7.91      -2.38      -0.02     1.52     16
  34       H     0.19    -0.15     7.36      -2.39      -0.02    -0.16     16
  35       H     0.32    10.97     8.90     -74.05      -0.66    10.31     16
  36       H     0.32    12.02     8.90     -74.06      -0.66    11.36     16
  37       H     0.07     1.52     8.14      -2.39      -0.02     1.50     16
  38       H     0.13     1.42     8.14      -2.39      -0.02     1.40     16
  39       H     0.17    -1.58     8.07      -2.38      -0.02    -1.59     16
  40       H     0.12     0.73     7.25      -2.39      -0.02     0.72     16
  41       H     0.10     4.02     8.06      -2.91      -0.02     3.99     16
 Total:         -1.00  -127.82   342.51                 -3.92  -131.74