REAL300018446686.mol2 40                                                        
   1       O    -0.71   -53.71    17.82      17.73       0.32   -53.40     16
   2       C     0.55    40.21     8.05      70.22       0.57    40.78     16
   3       O    -0.72   -57.64    17.99      17.72       0.32   -57.32     16
   4       C    -0.07    -4.00     7.13      42.39       0.30    -3.70     16
   5       N    -0.29   -15.67    12.03     -48.17      -0.58   -16.25     16
   6       N    -0.29   -11.88     3.76    -332.96      -1.25   -13.13     16
   7       C     0.11     2.79     7.18      86.34       0.62     3.41     16
   8       C    -0.12    -2.08     5.91      30.69       0.18    -1.90     16
   9       C    -0.12    -2.42     5.27      30.79       0.16    -2.26     16
  10       C     0.17     4.89     2.87      44.35       0.13     5.01     16
  11       N    -0.66   -17.88     6.00    -498.51      -2.99   -20.87     16
  12       C     0.09     2.46     4.63      85.55       0.40     2.85     16
  13       C    -0.08    -1.57     5.42     -19.65      -0.11    -1.68     16
  14       C    -0.06    -0.89     9.66      22.24       0.21    -0.68     16
  15       C    -0.08    -0.42    10.04      22.33       0.22    -0.20     16
  16       C    -0.04    -0.14    10.03      22.24       0.22     0.08     16
  17       C    -0.11    -1.36     9.75      22.49       0.22    -1.14     16
  18       C     0.32     6.88     9.76      22.83       0.22     7.10     16
  19       O    -0.68   -21.30    12.46    -127.47      -1.59   -22.88     16
  20       O    -0.79   -29.02    17.25    -127.47      -2.20   -31.22     16
  21       C     0.03     0.98     6.28      41.10       0.26     1.24     16
  22       C    -0.20    -9.51     9.98      22.31       0.22    -9.29     16
  23       H     0.10     2.33     8.14      -2.39      -0.02     2.31     16
  24       H     0.10     2.51     8.14      -2.39      -0.02     2.49     16
  25       H     0.14     1.30     8.14      -2.39      -0.02     1.28     16
  26       H     0.07     1.39     8.11      -2.39      -0.02     1.37     16
  27       H     0.10     1.66     8.14      -2.39      -0.02     1.64     16
  28       H     0.08     1.64     8.12      -2.39      -0.02     1.62     16
  29       H     0.07     1.89     7.82      -2.39      -0.02     1.87     16
  30       H     0.36     9.50     6.95     -89.69      -0.62     8.87     16
  31       H     0.07     2.14     5.72      -2.39      -0.01     2.13     16
  32       H     0.09     2.55     5.14      -2.38      -0.01     2.54     16
  33       H     0.17     2.66     8.03      -2.91      -0.02     2.63     16
  34       H     0.20    -0.35     8.06      -2.91      -0.02    -0.38     16
  35       H     0.22    -1.32     8.06      -2.91      -0.02    -1.35     16
  36       H     0.18     2.22     7.77      -2.91      -0.02     2.20     16
  37       H     0.33     9.29     8.90     -74.06      -0.66     8.63     16
  38       H     0.32    10.60     8.90     -74.06      -0.66     9.94     16
  39       H     0.15     6.88     5.84      -2.91      -0.02     6.87     16
 Total:         -1.00  -114.41   329.30                 -6.35  -120.77