REAL300018465682.mol2 43                                                        
   1       O    -0.71   -50.99    17.24      17.63       0.30   -50.68     16
   2       C     0.51    34.24     8.00      70.16       0.56    34.80     16
   3       O    -0.70   -50.73    16.03      24.33       0.39   -50.34     16
   4       C    -0.14    -7.35     5.88     -20.06      -0.12    -7.47     16
   5       C    -0.08    -3.26     8.86      22.72       0.20    -3.05     16
   6       C     0.22     6.95     6.65      38.09       0.25     7.21     16
   7       N    -0.54   -13.35     4.94    -343.19      -1.70   -15.05     16
   8       C     0.14     3.38     4.07      85.63       0.35     3.73     16
   9       C    -0.12    -2.25     5.28     -19.65      -0.10    -2.35     16
  10       C    -0.04    -0.17     9.66      22.24       0.21     0.04     16
  11       C    -0.08     0.04    10.04      22.33       0.22     0.26     16
  12       C    -0.04    -0.21    10.03      22.24       0.22     0.01     16
  13       C    -0.14    -2.96     9.75      22.49       0.22    -2.75     16
  14       C     0.31     9.78     9.76      22.83       0.22    10.01     16
  15       O    -0.85   -47.98    13.34    -127.47      -1.70   -49.68     16
  16       O    -1.01   -67.45    17.25    -127.47      -2.20   -69.65     16
  17       C    -0.12    -3.39     9.81      22.52       0.22    -3.17     16
  18       C     0.07     2.69     6.70      22.52       0.15     2.84     16
  19       C     0.09     4.19     6.72      22.94       0.15     4.34     16
  20       O    -0.21   -10.62     7.98      -7.92      -0.06   -10.69     16
  21       C     0.00    -0.14     6.70      22.56       0.15     0.01     16
  22       C    -0.12    -3.46     9.98      22.35       0.22    -3.23     16
  23       C    -0.09    -1.63    10.04      22.28       0.22    -1.41     16
  24       C    -0.09    -1.22    10.04      22.28       0.22    -1.00     16
  25       C    -0.10    -1.87     9.99      22.35       0.22    -1.65     16
  26       C     0.02     0.65     6.71      22.56       0.15     0.80     16
  27       O    -0.23    -7.30     9.94     -24.85      -0.25    -7.54     16
  28       H     0.15     6.44     6.29      -2.91      -0.02     6.43     16
  29       H     0.43     8.14     8.47     -92.71      -0.79     7.35     16
  30       H     0.10     3.81     5.58      -2.39      -0.01     3.80     16
  31       H     0.16     2.44     7.81      -2.39      -0.02     2.42     16
  32       H     0.21    -0.90     8.03      -2.91      -0.02    -0.92     16
  33       H     0.22    -2.25     8.06      -2.91      -0.02    -2.27     16
  34       H     0.21    -0.64     8.06      -2.91      -0.02    -0.67     16
  35       H     0.15     4.10     7.77      -2.91      -0.02     4.08     16
  36       H     0.28    17.22     8.90     -74.06      -0.66    16.56     16
  37       H     0.26    17.76     8.90     -74.06      -0.66    17.10     16
  38       H     0.20     3.76     8.06      -2.91      -0.02     3.74     16
  39       H     0.13     4.22     8.06      -2.91      -0.02     4.19     16
  40       H     0.18     1.76     8.06      -2.91      -0.02     1.74     16
  41       H     0.19     0.83     8.06      -2.91      -0.02     0.80     16
  42       H     0.17     2.24     8.06      -2.91      -0.02     2.21     16
 Total:         -1.00  -145.50   369.56                 -3.61  -149.10