REAL300018258159.mol2 37                                                        
   1       O    -0.72   -54.33    17.40      25.16       0.44   -53.89     16
   2       C     0.48    32.90     8.13      71.24       0.58    33.48     16
   3       O    -0.72   -53.37    18.00      19.07       0.34   -53.02     16
   4       C     0.02     1.29     5.30      71.24       0.38     1.66     16
   5       O    -0.32   -16.57     9.67     -73.49      -0.71   -17.28     16
   6       C     0.14     5.35     6.68      22.49       0.15     5.50     16
   7       C    -0.28    -9.15     9.04      22.39       0.20    -8.94     16
   8       C    -0.03    -0.67    10.03      22.24       0.22    -0.45     16
   9       C    -0.23    -4.07     9.31      22.42       0.21    -3.86     16
  10       C     0.26     5.47     6.65      38.20       0.25     5.72     16
  11       N    -0.74    -8.83     5.72    -343.19      -1.96   -10.79     16
  12       C     0.16     0.58     5.03      85.63       0.43     1.01     16
  13       C    -0.05    -0.11     5.24     -19.90      -0.10    -0.22     16
  14       C    -0.06     0.25     9.70      22.33       0.22     0.47     16
  15       C    -0.04     0.17    10.03      22.24       0.22     0.39     16
  16       C    -0.10    -0.59     9.75      22.48       0.22    -0.37     16
  17       C     0.31     4.90     9.80      22.82       0.22     5.12     16
  18       O    -0.75   -27.57    17.25    -127.47      -2.20   -29.77     16
  19       O    -0.74   -25.35    17.25    -127.47      -2.20   -27.54     16
  20       C    -0.10    -1.05     9.40      22.48       0.21    -0.84     16
  21       C    -0.25    -8.00     9.83      22.49       0.22    -7.77     16
  22       H     0.08     3.86     7.65      -2.39      -0.02     3.85     16
  23       H     0.08     3.96     7.67      -2.39      -0.02     3.94     16
  24       H     0.12     3.85     6.29      -2.91      -0.02     3.83     16
  25       H     0.15     2.36     8.06      -2.91      -0.02     2.34     16
  26       H     0.16     1.47     6.73      -2.91      -0.02     1.45     16
  27       H     0.40     4.68     8.47     -92.71      -0.79     3.89     16
  28       H     0.09     0.34     7.89      -2.39      -0.02     0.32     16
  29       H     0.12    -0.24     7.89      -2.39      -0.02    -0.26     16
  30       H     0.21    -2.20     8.06      -2.91      -0.02    -2.23     16
  31       H     0.22    -2.75     8.06      -2.91      -0.02    -2.77     16
  32       H     0.18     1.23     7.77      -2.91      -0.02     1.20     16
  33       H     0.33    10.79     8.90     -74.06      -0.66    10.14     16
  34       H     0.33    10.17     8.90     -74.06      -0.66     9.51     16
  35       H     0.16     2.40     7.77      -2.91      -0.02     2.38     16
  36       H     0.12     3.79     8.06      -2.91      -0.02     3.77     16
 Total:         -1.00  -115.04   327.38                 -5.01  -120.05