REAL300018278679.mol2 43                                                        
   1       C    -0.15    -1.87     9.56      71.98       0.69    -1.18     16
   2       C     0.06     0.88     2.84      30.59       0.09     0.97     16
   3       C    -0.18    -1.73     9.17      71.98       0.66    -1.07     16
   4       O    -0.29    -6.47     9.03     -90.93      -0.82    -7.30     16
   5       C     0.15     4.25     6.63      22.74       0.15     4.40     16
   6       C    -0.19    -4.97     8.21      22.30       0.18    -4.78     16
   7       C    -0.01    -0.51     9.58      22.55       0.22    -0.30     16
   8       C    -0.16    -7.71     5.87     -20.11      -0.12    -7.83     16
   9       C     0.50    32.42     8.00      70.19       0.56    32.99     16
  10       O    -0.72   -49.41    17.23      17.65       0.30   -49.10     16
  11       O    -0.72   -50.86    17.24      17.66       0.30   -50.56     16
  12       C    -0.08    -3.55     8.85      22.67       0.20    -3.35     16
  13       C     0.18     5.83     6.66      38.17       0.25     6.09     16
  14       N    -0.51   -14.64     4.95    -342.82      -1.70   -16.34     16
  15       C     0.13     3.74     4.08      85.63       0.35     4.09     16
  16       C    -0.12    -2.79     5.28     -19.65      -0.10    -2.90     16
  17       C    -0.04    -0.29     9.66      22.24       0.21    -0.07     16
  18       C    -0.08    -0.14    10.04      22.33       0.22     0.08     16
  19       C    -0.04    -0.30    10.03      22.24       0.22    -0.07     16
  20       C    -0.14    -3.43     9.75      22.48       0.22    -3.21     16
  21       C     0.31    10.83     9.76      22.83       0.22    11.05     16
  22       O    -1.03   -72.88    17.25    -127.47      -2.20   -75.07     16
  23       O    -0.88   -54.21    13.35    -127.47      -1.70   -55.91     16
  24       H     0.07     0.85     8.14      -2.38      -0.02     0.83     16
  25       H     0.11     0.78     8.14      -2.39      -0.02     0.76     16
  26       H     0.05     0.84     8.14      -2.39      -0.02     0.82     16
  27       H     0.09     1.24     6.30      -2.39      -0.02     1.23     16
  28       H     0.10     0.55     8.14      -2.39      -0.02     0.53     16
  29       H     0.07     0.69     8.14      -2.38      -0.02     0.67     16
  30       H     0.06     0.73     6.90      -2.39      -0.02     0.71     16
  31       H     0.19     3.24     5.39      -2.91      -0.02     3.22     16
  32       H     0.15     5.41     7.63      -2.91      -0.02     5.39     16
  33       H     0.14     6.04     6.30      -2.91      -0.02     6.03     16
  34       H     0.42    10.74     7.82     -92.70      -0.72    10.01     16
  35       H     0.16     2.91     7.80      -2.39      -0.02     2.89     16
  36       H     0.10     4.35     5.59      -2.38      -0.01     4.34     16
  37       H     0.21    -0.43     8.04      -2.91      -0.02    -0.46     16
  38       H     0.22    -1.94     8.06      -2.91      -0.02    -1.97     16
  39       H     0.21    -0.28     8.06      -2.91      -0.02    -0.30     16
  40       H     0.14     4.49     7.77      -2.91      -0.02     4.47     16
  41       H     0.25    18.41     8.90     -74.06      -0.66    17.76     16
  42       H     0.27    17.82     8.90     -74.06      -0.66    17.17     16
 Total:         -1.00  -141.34   357.21                 -3.93  -145.27