REAL300018408846.mol2 38                                                        
   1       O    -0.71   -49.51    17.20      17.78       0.31   -49.20     16
   2       C     0.51    31.76     8.00      70.26       0.56    32.32     16
   3       O    -0.71   -47.42    17.20      17.78       0.31   -47.11     16
   4       C    -0.14    -6.83     5.87     -20.14      -0.12    -6.95     16
   5       C     0.00     0.18     9.34      22.86       0.21     0.39     16
   6       C    -0.11    -3.23     5.74     -21.30      -0.12    -3.35     16
   7       C    -0.03    -0.46     9.89      22.54       0.22    -0.24     16
   8       C    -0.15    -1.60    10.03      22.14       0.22    -1.37     16
   9       C     0.14     2.15    11.15      85.04       0.95     3.10     16
  10       N    -0.49   -12.18     9.56    -188.08      -1.80   -13.97     16
  11       C     0.11     3.27     6.62      40.53       0.27     3.54     16
  12       C     0.23     8.01     6.65      38.26       0.25     8.26     16
  13       N    -0.51   -15.80     4.93    -343.20      -1.69   -17.49     16
  14       C     0.13     3.83     4.06      85.63       0.35     4.17     16
  15       C    -0.13    -3.08     5.28     -19.65      -0.10    -3.18     16
  16       C    -0.04    -0.35     9.66      22.24       0.21    -0.14     16
  17       C    -0.08    -0.24    10.04      22.33       0.22    -0.02     16
  18       C    -0.04    -0.34    10.03      22.24       0.22    -0.11     16
  19       C    -0.14    -3.67     9.75      22.49       0.22    -3.46     16
  20       C     0.31    11.49     9.76      22.82       0.22    11.71     16
  21       O    -1.03   -76.00    17.25    -127.47      -2.20   -78.20     16
  22       O    -0.91   -58.25    13.35    -127.47      -1.70   -59.96     16
  23       C    -0.08    -3.43     8.78      22.42       0.20    -3.23     16
  24       H     0.16     5.57     7.61      -2.91      -0.02     5.55     16
  25       H     0.18     1.85     8.06      -2.91      -0.02     1.82     16
  26       H     0.20     0.23     8.06      -2.91      -0.02     0.21     16
  27       H     0.21     1.31     8.06      -2.91      -0.02     1.28     16
  28       H     0.43    12.31     7.82     -92.71      -0.73    11.58     16
  29       H     0.16     3.14     7.78      -2.39      -0.02     3.12     16
  30       H     0.10     4.57     5.56      -2.39      -0.01     4.56     16
  31       H     0.21    -0.15     8.03      -2.91      -0.02    -0.17     16
  32       H     0.22    -1.75     8.06      -2.91      -0.02    -1.77     16
  33       H     0.21    -0.07     8.06      -2.91      -0.02    -0.10     16
  34       H     0.14     4.73     7.77      -2.91      -0.02     4.70     16
  35       H     0.25    18.90     8.90     -74.06      -0.66    18.24     16
  36       H     0.26    18.27     8.90     -74.06      -0.66    17.61     16
  37       H     0.14     6.20     6.15      -2.91      -0.02     6.18     16
 Total:         -1.00  -146.62   328.96                 -5.06  -151.68