REAL300018290276.mol2 37                                                        
   1       C     0.00     0.06     9.81     113.37       1.11     1.18     16
   2       O    -0.28    -6.16     9.72     -93.66      -0.91    -7.07     16
   3       C     0.16     4.09     6.70      22.55       0.15     4.25     16
   4       C    -0.17    -5.44     8.58      22.63       0.19    -5.24     16
   5       C    -0.05    -1.81     5.87     -20.10      -0.12    -1.93     16
   6       C     0.50    27.50     7.99      70.16       0.56    28.06     16
   7       O    -0.70   -43.11    17.23      17.60       0.30   -42.81     16
   8       O    -0.70   -42.75    17.23      17.61       0.30   -42.45     16
   9       C    -0.05    -1.50     9.58      22.54       0.22    -1.28     16
  10       C    -0.11    -2.39     9.28      22.34       0.21    -2.18     16
  11       C     0.23     5.35     6.67      38.54       0.26     5.61     16
  12       N    -0.50   -10.14     5.69    -342.77      -1.95   -12.09     16
  13       C     0.10     1.73     4.71      85.64       0.40     2.13     16
  14       C    -0.15    -2.60     5.25     -19.65      -0.10    -2.70     16
  15       C    -0.04    -0.12     9.66      22.24       0.21     0.09     16
  16       C    -0.11    -0.17    10.04      22.33       0.22     0.05     16
  17       C    -0.05    -0.41    10.03      22.24       0.22    -0.19     16
  18       C    -0.16    -3.98     9.87      22.49       0.22    -3.75     16
  19       C     0.25     8.36     8.94      22.82       0.20     8.57     16
  20       O    -0.97   -68.37    16.78    -127.47      -2.14   -70.51     16
  21       O    -1.01   -77.71    17.89    -127.47      -2.28   -79.99     16
  22       H     0.15     1.43     8.14      -2.38      -0.02     1.41     16
  23       H     0.07     1.26     7.66      -2.39      -0.02     1.24     16
  24       H     0.09     1.20     7.66      -2.39      -0.02     1.18     16
  25       H     0.16     5.19     5.86      -2.91      -0.02     5.17     16
  26       H     0.17     4.88     7.63      -2.91      -0.02     4.86     16
  27       H     0.21     2.47     6.69      -2.91      -0.02     2.45     16
  28       H     0.43     9.11     7.80     -92.71      -0.72     8.39     16
  29       H     0.12     3.19     4.70      -2.39      -0.01     3.18     16
  30       H     0.20     0.14     7.75      -2.39      -0.02     0.12     16
  31       H     0.21    -1.66     8.00      -2.91      -0.02    -1.68     16
  32       H     0.20    -1.62     8.06      -2.91      -0.02    -1.65     16
  33       H     0.19     0.20     8.06      -2.91      -0.02     0.18     16
  34       H     0.13     3.97     8.06      -2.91      -0.02     3.95     16
  35       H     0.23    13.49     6.79     -74.05      -0.50    12.98     16
  36       H     0.23    15.15     8.83     -74.06      -0.65    14.50     16
 Total:         -1.00  -161.15   319.21                 -4.82  -165.98