REAL300018699241.mol2 40                                                        
   1       O    -0.72   -46.27    17.32      19.02       0.33   -45.94     16
   2       C     0.46    25.32     8.13      71.24       0.58    25.90     16
   3       O    -0.73   -45.78    18.00      19.06       0.34   -45.44     16
   4       C     0.05     1.56     6.56      85.63       0.56     2.12     16
   5       N    -0.40   -12.41     2.27    -519.93      -1.18   -13.60     16
   6       C     0.09     2.18    11.28      82.97       0.94     3.11     16
   7       C    -0.14    -3.43    10.86      23.50       0.26    -3.17     16
   8       C    -0.18    -4.85     6.27     -20.11      -0.13    -4.97     16
   9       C     0.30     7.35     6.68      38.41       0.26     7.60     16
  10       N    -0.54   -12.77     4.92    -342.60      -1.69   -14.45     16
  11       C     0.13     2.81     4.08      85.63       0.35     3.16     16
  12       C    -0.13    -2.77     5.28     -19.65      -0.10    -2.87     16
  13       C    -0.04    -0.23     9.66      22.24       0.21    -0.01     16
  14       C    -0.09    -0.28    10.04      22.33       0.22    -0.05     16
  15       C    -0.05    -0.57    10.03      22.24       0.22    -0.34     16
  16       C    -0.15    -4.62     9.75      22.48       0.22    -4.40     16
  17       C     0.29    11.39     9.76      22.82       0.22    11.61     16
  18       O    -0.98   -64.93    13.33    -127.47      -1.70   -66.63     16
  19       O    -1.09   -89.95    17.25    -127.47      -2.20   -92.15     16
  20       C    -0.14    -2.60     9.31      22.41       0.21    -2.39     16
  21       C    -0.06    -1.04    10.00      22.27       0.22    -0.82     16
  22       C    -0.03    -0.79     9.98      22.39       0.22    -0.57     16
  23       C     0.06     1.89     6.80      39.01       0.27     2.16     16
  24       H     0.14     3.80     8.12      -2.39      -0.02     3.78     16
  25       H     0.13     3.61     8.14      -2.38      -0.02     3.59     16
  26       H     0.21     3.80     8.06      -2.91      -0.02     3.78     16
  27       H     0.19     3.31     8.06      -2.91      -0.02     3.29     16
  28       H     0.41     9.66     8.29     -92.71      -0.77     8.89     16
  29       H     0.10     3.53     5.61      -2.39      -0.01     3.52     16
  30       H     0.17     1.02     7.81      -2.39      -0.02     1.00     16
  31       H     0.22    -1.35     8.03      -2.91      -0.02    -1.37     16
  32       H     0.21    -1.70     8.06      -2.91      -0.02    -1.72     16
  33       H     0.20     0.66     8.06      -2.91      -0.02     0.64     16
  34       H     0.13     4.91     7.77      -2.91      -0.02     4.89     16
  35       H     0.23    17.58     8.90     -74.05      -0.66    16.92     16
  36       H     0.23    19.49     8.90     -74.05      -0.66    18.83     16
  37       H     0.18     2.38     6.72      -2.91      -0.02     2.36     16
  38       H     0.19     1.63     8.06      -2.91      -0.02     1.61     16
  39       H     0.15     3.25     8.06      -2.91      -0.02     3.23     16
 Total:         -1.00  -165.18   344.22                 -3.73  -168.91