REAL300018329492.mol2 37                                                        
   1       O    -0.72   -40.76    17.40      25.16       0.44   -40.33     16
   2       C     0.47    22.35     8.13      71.24       0.58    22.93     16
   3       O    -0.72   -40.49    18.00      19.08       0.34   -40.15     16
   4       C     0.01     0.14     5.30      71.24       0.38     0.52     16
   5       O    -0.27    -5.13     9.67     -74.56      -0.72    -5.85     16
   6       C     0.19     0.53     6.69      22.49       0.15     0.68     16
   7       C    -0.12     0.45     9.98      22.35       0.22     0.67     16
   8       C    -0.07     0.95     9.89      22.39       0.22     1.18     16
   9       C     0.24    -4.32     6.66      38.15       0.25    -4.07     16
  10       N    -0.54    11.81     5.73    -343.00      -1.97     9.85     16
  11       C     0.13    -2.85     5.03      85.63       0.43    -2.42     16
  12       C    -0.10     0.81     5.25     -19.80      -0.10     0.71     16
  13       C    -0.02    -0.01     9.68      22.24       0.22     0.20     16
  14       C    -0.14    -3.39     9.75      22.48       0.22    -3.17     16
  15       C     0.31    12.74     9.80      22.82       0.22    12.96     16
  16       O    -1.10   -92.90    17.25    -127.47      -2.20   -95.09     16
  17       O    -1.10   -92.88    17.25    -127.47      -2.20   -95.08     16
  18       C    -0.14    -3.38     9.75      22.48       0.22    -3.16     16
  19       C    -0.02    -0.01     9.68      22.24       0.22     0.20     16
  20       C    -0.06     1.02     9.31      22.39       0.21     1.23     16
  21       C    -0.17     1.11     9.03      22.35       0.20     1.31     16
  22       H     0.12     1.94     7.66      -2.39      -0.02     1.92     16
  23       H     0.12     1.94     7.66      -2.39      -0.02     1.92     16
  24       H     0.16    -0.29     8.06      -2.91      -0.02    -0.31     16
  25       H     0.20    -3.82     8.06      -2.91      -0.02    -3.84     16
  26       H     0.44    -9.94     8.48     -92.71      -0.79   -10.72     16
  27       H     0.17    -4.72     7.88      -2.39      -0.02    -4.74     16
  28       H     0.17    -4.72     7.90      -2.39      -0.02    -4.74     16
  29       H     0.22    -2.33     8.06      -2.91      -0.02    -2.35     16
  30       H     0.14     4.51     7.77      -2.91      -0.02     4.49     16
  31       H     0.23    20.42     8.90     -74.06      -0.66    19.76     16
  32       H     0.23    20.41     8.90     -74.05      -0.66    19.75     16
  33       H     0.14     4.51     7.77      -2.91      -0.02     4.48     16
  34       H     0.22    -2.33     8.06      -2.90      -0.02    -2.36     16
  35       H     0.21    -5.36     6.73      -2.91      -0.02    -5.38     16
  36       H     0.17    -1.10     6.29      -2.91      -0.02    -1.12     16
 Total:         -1.00  -215.10   327.42                 -5.02  -220.12