REAL300009850698.mol2 42                                                        
   1       O    -0.72   -53.41    17.40      25.16       0.44   -52.97     16
   2       C     0.47    31.49     8.13      71.24       0.58    32.07     16
   3       O    -0.72   -51.43    18.00      19.06       0.34   -51.09     16
   4       C     0.02     1.05     5.30      71.24       0.38     1.43     16
   5       O    -0.32   -15.58     9.67     -73.56      -0.71   -16.29     16
   6       C     0.09     3.17     6.68      22.47       0.15     3.32     16
   7       C    -0.19    -4.69     9.03      22.42       0.20    -4.48     16
   8       C    -0.07    -0.99    10.03      22.22       0.22    -0.76     16
   9       C    -0.10    -1.13     9.53      22.54       0.21    -0.92     16
  10       C    -0.11    -2.19     5.87     -20.10      -0.12    -2.30     16
  11       C     0.57    10.42     7.49      86.78       0.65    11.07     16
  12       O    -0.55   -15.01    14.02      -3.88      -0.05   -15.07     16
  13       N    -0.65    -4.60     5.26    -306.19      -1.61    -6.21     16
  14       C     0.17     1.28     6.25      38.26       0.24     1.52     16
  15       C    -0.11    -0.03     9.69      22.68       0.22     0.19     16
  16       C    -0.03    -0.09     5.74     -21.26      -0.12    -0.21     16
  17       C    -0.01     0.01     9.73      22.31       0.22     0.23     16
  18       C    -0.12    -0.80     9.65      22.23       0.21    -0.59     16
  19       C     0.32     5.16     9.78      22.86       0.22     5.38     16
  20       O    -0.76   -26.30    17.19    -127.47      -2.19   -28.49     16
  21       O    -0.73   -23.78    17.20    -127.47      -2.19   -25.97     16
  22       C    -0.08    -0.98     9.49      22.79       0.22    -0.76     16
  23       C    -0.03    -0.29     5.74     -21.28      -0.12    -0.41     16
  24       C    -0.07    -0.73     9.74      22.33       0.22    -0.51     16
  25       C    -0.11    -1.38     8.54      22.16       0.19    -1.19     16
  26       C    -0.12    -3.77     9.53      22.63       0.22    -3.56     16
  27       H     0.09     3.78     7.65      -2.39      -0.02     3.76     16
  28       H     0.09     3.76     7.67      -2.38      -0.02     3.75     16
  29       H     0.14     3.33     6.28      -2.91      -0.02     3.31     16
  30       H     0.18     0.90     8.06      -2.91      -0.02     0.88     16
  31       H     0.18    -0.25     6.41      -2.91      -0.02    -0.27     16
  32       H     0.44    -0.91     6.86     -92.71      -0.64    -1.55     16
  33       H     0.20    -1.72     8.06      -2.91      -0.02    -1.74     16
  34       H     0.23    -2.69     8.06      -2.91      -0.02    -2.72     16
  35       H     0.18     1.16     7.73      -2.91      -0.02     1.14     16
  36       H     0.33    10.08     8.90     -74.06      -0.66     9.42     16
  37       H     0.33     9.51     8.90     -74.06      -0.66     8.85     16
  38       H     0.17     2.42     7.73      -2.91      -0.02     2.40     16
  39       H     0.16     1.15     8.06      -2.91      -0.02     1.12     16
  40       H     0.13     2.23     6.40      -2.91      -0.02     2.21     16
  41       H     0.11     4.18     7.65      -2.91      -0.02     4.15     16
 Total:         -1.00  -117.69   369.10                 -4.20  -121.89