REAL300018329493.mol2 37                                                        
   1       O    -0.72   -41.74    17.40      25.18       0.44   -41.30     16
   2       C     0.47    23.49     8.13      71.24       0.58    24.07     16
   3       O    -0.72   -42.04    18.00      19.05       0.34   -41.69     16
   4       C     0.00     0.11     5.30      71.24       0.38     0.49     16
   5       O    -0.26    -5.67     9.67     -74.57      -0.72    -6.39     16
   6       C     0.19     1.17     6.69      22.49       0.15     1.32     16
   7       C    -0.18     0.14     9.03      22.35       0.20     0.35     16
   8       C    -0.06     0.55     9.89      22.39       0.22     0.78     16
   9       C     0.24    -2.90     6.66      38.15       0.25    -2.64     16
  10       N    -0.54     7.95     5.73    -342.98      -1.97     5.99     16
  11       C     0.13    -1.77     5.04      85.64       0.43    -1.33     16
  12       C    -0.07     0.07     5.24     -19.90      -0.10    -0.03     16
  13       C    -0.05     0.31     9.70      22.33       0.22     0.52     16
  14       C    -0.05    -0.23    10.03      22.24       0.22    -0.01     16
  15       C    -0.12    -3.16     9.75      22.49       0.22    -2.94     16
  16       C     0.29    11.51     9.80      22.83       0.22    11.74     16
  17       O    -1.09   -89.92    17.25    -127.47      -2.20   -92.12     16
  18       O    -1.10   -92.99    17.25    -127.47      -2.20   -95.19     16
  19       C    -0.10    -2.15     9.40      22.49       0.21    -1.94     16
  20       C    -0.08     0.87     9.31      22.39       0.21     1.07     16
  21       C    -0.11     0.20     9.98      22.35       0.22     0.43     16
  22       H     0.11     2.34     7.65      -2.38      -0.02     2.32     16
  23       H     0.12     2.31     7.67      -2.39      -0.02     2.29     16
  24       H     0.17    -0.09     6.29      -2.91      -0.02    -0.11     16
  25       H     0.19    -2.87     8.06      -2.91      -0.02    -2.90     16
  26       H     0.44    -6.78     8.48     -92.71      -0.79    -7.56     16
  27       H     0.14    -1.88     7.89      -2.39      -0.02    -1.90     16
  28       H     0.19    -4.80     7.89      -2.39      -0.02    -4.82     16
  29       H     0.23    -4.64     8.06      -2.91      -0.02    -4.67     16
  30       H     0.21    -1.02     8.06      -2.91      -0.02    -1.04     16
  31       H     0.13     4.63     7.77      -2.91      -0.02     4.61     16
  32       H     0.23    20.03     8.90     -74.06      -0.66    19.37     16
  33       H     0.23    20.30     8.90     -74.05      -0.66    19.64     16
  34       H     0.15     3.95     7.77      -2.91      -0.02     3.93     16
  35       H     0.21    -4.06     6.73      -2.91      -0.02    -4.08     16
  36       H     0.17    -0.29     8.06      -2.91      -0.02    -0.31     16
 Total:         -1.00  -209.04   327.42                 -5.02  -214.06