REAL300009850680.mol2 41                                                        
   1       O    -0.74   -54.14    16.64      19.04       0.32   -53.82     16
   2       C     0.47    31.36     7.36      71.23       0.52    31.88     16
   3       O    -0.75   -56.16    17.98      19.04       0.34   -55.82     16
   4       C    -0.15    -7.12     3.37     -10.26      -0.03    -7.16     16
   5       H     0.09     3.83     8.14      -2.39      -0.02     3.81     16
   6       C    -0.10    -3.77     5.89      31.67       0.19    -3.58     16
   7       C    -0.10    -1.93     6.39      31.32       0.20    -1.73     16
   8       C    -0.10    -2.20     3.30     -10.82      -0.04    -2.24     16
   9       H     0.15     2.00     8.14      -2.39      -0.02     1.98     16
  10       C     0.52    11.66     6.77      87.66       0.59    12.25     16
  11       O    -0.56   -18.32    12.81      -3.04      -0.04   -18.36     16
  12       N    -0.65    -7.09     5.15    -303.57      -1.56    -8.65     16
  13       C     0.17     1.97     6.28      38.24       0.24     2.21     16
  14       C    -0.11    -0.50     9.69      22.67       0.22    -0.28     16
  15       C    -0.03    -0.22     5.74     -21.25      -0.12    -0.34     16
  16       C    -0.01    -0.02     9.73      22.31       0.22     0.20     16
  17       C    -0.12    -1.12     9.65      22.23       0.21    -0.91     16
  18       C     0.32     5.97     9.78      22.86       0.22     6.19     16
  19       O    -0.76   -27.69    17.19    -127.47      -2.19   -29.88     16
  20       O    -0.73   -25.02    17.20    -127.47      -2.19   -27.21     16
  21       C    -0.08    -1.20     9.49      22.79       0.22    -0.99     16
  22       C    -0.04    -0.42     5.74     -21.29      -0.12    -0.55     16
  23       C    -0.08    -1.06     9.74      22.33       0.22    -0.84     16
  24       C    -0.11    -1.88     8.59      22.16       0.19    -1.69     16
  25       C    -0.09    -3.40     5.57      31.66       0.18    -3.22     16
  26       H     0.07     2.40     8.14      -2.38      -0.02     2.38     16
  27       H     0.03     1.51     7.46      -2.39      -0.02     1.50     16
  28       H     0.12     1.35     8.14      -2.39      -0.02     1.33     16
  29       H     0.09     1.36     7.59      -2.39      -0.02     1.34     16
  30       H     0.44     0.65     8.82     -92.71      -0.82    -0.16     16
  31       H     0.19    -0.87     8.06      -2.91      -0.02    -0.89     16
  32       H     0.23    -1.93     8.06      -2.91      -0.02    -1.95     16
  33       H     0.18     1.61     7.73      -2.91      -0.02     1.59     16
  34       H     0.33    10.62     8.90     -74.06      -0.66     9.96     16
  35       H     0.33    10.03     8.90     -74.06      -0.66     9.37     16
  36       H     0.17     2.89     7.73      -2.91      -0.02     2.87     16
  37       H     0.15     1.69     8.06      -2.91      -0.02     1.66     16
  38       H     0.13     2.87     6.18      -2.91      -0.02     2.85     16
  39       H     0.04     1.76     6.80      -2.39      -0.02     1.74     16
  40       H     0.07     2.55     8.14      -2.39      -0.02     2.53     16
 Total:         -1.00  -117.98   345.06                 -4.64  -122.62