REAL300018336321.mol2 42                                                        
   1       C    -0.12    -4.31     8.68      71.98       0.62    -3.69     16
   2       C    -0.14    -5.96     2.79     -11.54      -0.03    -5.99     16
   3       C    -0.06    -2.12     4.18      29.85       0.12    -1.99     16
   4       C    -0.04    -1.09     4.71     -19.84      -0.09    -1.19     16
   5       C    -0.09    -1.95     7.97      22.25       0.18    -1.78     16
   6       C    -0.12    -1.96     9.31      22.40       0.21    -1.76     16
   7       C     0.19     3.07     6.65      38.21       0.25     3.32     16
   8       N    -0.53    -6.79     4.95    -343.12      -1.70    -8.49     16
   9       C     0.14     1.54     4.08      85.63       0.35     1.88     16
  10       C    -0.12    -1.28     5.28     -19.65      -0.10    -1.38     16
  11       C    -0.04     0.10     9.66      22.24       0.21     0.32     16
  12       C    -0.09     0.44    10.04      22.33       0.22     0.67     16
  13       C    -0.04    -0.09    10.03      22.24       0.22     0.13     16
  14       C    -0.14    -2.58     9.75      22.48       0.22    -2.36     16
  15       C     0.31     7.85     9.76      22.83       0.22     8.07     16
  16       O    -0.87   -40.99    13.35    -127.47      -1.70   -42.69     16
  17       O    -1.03   -64.49    17.25    -127.47      -2.20   -66.69     16
  18       C    -0.12    -2.00     9.90      22.40       0.22    -1.78     16
  19       C    -0.10    -2.18     9.69      22.25       0.22    -1.96     16
  20       C     0.47    29.69     7.39      71.24       0.53    30.22     16
  21       O    -0.73   -51.23    16.82      19.03       0.32   -50.92     16
  22       O    -0.74   -52.77    17.83      19.04       0.34   -52.43     16
  23       H     0.04     1.64     8.14      -2.39      -0.02     1.62     16
  24       H     0.04     1.68     8.09      -2.39      -0.02     1.66     16
  25       H     0.09     2.37     6.28      -2.39      -0.01     2.36     16
  26       H     0.08     3.24     8.14      -2.39      -0.02     3.22     16
  27       H     0.07     2.60     8.08      -2.39      -0.02     2.58     16
  28       H     0.06     2.49     7.90      -2.39      -0.02     2.47     16
  29       H     0.15     2.84     8.04      -2.91      -0.02     2.81     16
  30       H     0.16     1.80     6.73      -2.91      -0.02     1.78     16
  31       H     0.42     4.66     8.48     -92.71      -0.79     3.87     16
  32       H     0.11     2.57     5.59      -2.39      -0.01     2.55     16
  33       H     0.17    -0.15     7.81      -2.39      -0.02    -0.17     16
  34       H     0.22    -2.76     8.03      -2.91      -0.02    -2.79     16
  35       H     0.21    -3.01     8.06      -2.91      -0.02    -3.04     16
  36       H     0.20    -1.04     8.06      -2.91      -0.02    -1.07     16
  37       H     0.14     3.56     7.77      -2.91      -0.02     3.54     16
  38       H     0.27    14.66     8.90     -74.06      -0.66    14.00     16
  39       H     0.26    16.53     8.90     -74.06      -0.66    15.87     16
  40       H     0.16     1.81     8.06      -2.91      -0.02     1.79     16
  41       H     0.14     3.00     8.06      -2.91      -0.02     2.98     16
 Total:         -1.00  -140.62   349.17                 -3.79  -144.42