REAL300018251241.mol2 40                                                        
   1       O    -0.71   -43.70    16.56      19.05       0.32   -43.38     16
   2       C     0.47    28.00     8.12      71.24       0.58    28.58     16
   3       O    -0.73   -49.42    18.00      19.05       0.34   -49.08     16
   4       C     0.07     3.16     6.23      85.63       0.53     3.69     16
   5       N    -0.68   -24.00     5.48    -470.02      -2.57   -26.58     16
   6       C     0.53    15.51     7.76      86.69       0.67    16.18     16
   7       O    -0.56   -19.58    16.34      -4.02      -0.07   -19.65     16
   8       C    -0.04    -0.70     5.88     -20.08      -0.12    -0.81     16
   9       C    -0.08    -1.01     9.53      22.50       0.21    -0.80     16
  10       C    -0.08    -0.63     9.87      22.36       0.22    -0.41     16
  11       C     0.23     1.53     6.65      38.47       0.26     1.78     16
  12       N    -0.47    -2.92     5.70    -343.13      -1.96    -4.88     16
  13       C     0.10     0.50     4.71      85.64       0.40     0.90     16
  14       C    -0.15    -1.23     5.25     -19.65      -0.10    -1.33     16
  15       C    -0.03     0.14     9.66      22.24       0.21     0.35     16
  16       C    -0.11     0.46    10.04      22.33       0.22     0.68     16
  17       C    -0.05    -0.17    10.03      22.24       0.22     0.06     16
  18       C    -0.16    -2.97     9.87      22.48       0.22    -2.75     16
  19       C     0.25     6.36     8.94      22.82       0.20     6.56     16
  20       O    -0.96   -58.22    16.78    -127.47      -2.14   -60.36     16
  21       O    -0.99   -68.42    17.89    -127.47      -2.28   -70.70     16
  22       C    -0.09    -0.49     9.28      22.35       0.21    -0.28     16
  23       C    -0.05    -0.51     9.58      22.50       0.22    -0.30     16
  24       H     0.09     3.63     8.14      -2.39      -0.02     3.61     16
  25       H     0.08     3.45     8.14      -2.39      -0.02     3.43     16
  26       H     0.41    13.78     5.45     -92.71      -0.51    13.27     16
  27       H     0.16     2.20     6.39      -2.91      -0.02     2.18     16
  28       H     0.19     0.44     8.06      -2.91      -0.02     0.42     16
  29       H     0.43     2.54     8.47     -92.71      -0.78     1.76     16
  30       H     0.13     1.94     4.71      -2.39      -0.01     1.93     16
  31       H     0.21    -2.23     7.74      -2.39      -0.02    -2.25     16
  32       H     0.22    -3.38     8.00      -2.91      -0.02    -3.40     16
  33       H     0.20    -2.54     8.06      -2.91      -0.02    -2.56     16
  34       H     0.19    -0.57     8.06      -2.91      -0.02    -0.59     16
  35       H     0.13     3.19     8.06      -2.91      -0.02     3.17     16
  36       H     0.24    11.43     6.79     -74.06      -0.50    10.93     16
  37       H     0.23    13.77     8.83     -74.06      -0.65    13.11     16
  38       H     0.20    -0.36     6.70      -2.91      -0.02    -0.38     16
  39       H     0.17     1.84     7.64      -2.91      -0.02     1.81     16
 Total:         -1.00  -169.20   347.38                 -6.88  -176.08