REAL300018695746.mol2 37                                                        
   1       O    -0.69   -49.92    17.42      19.06       0.33   -49.59     16
   2       C     0.49    34.26     7.12      71.24       0.51    34.77     16
   3       O    -0.75   -57.08    18.00      19.04       0.34   -56.74     16
   4       C     0.09     5.01     2.62      43.42       0.11     5.12     16
   5       N    -0.63   -31.06     4.90    -503.37      -2.47   -33.53     16
   6       C     0.10     4.44     4.74      85.56       0.41     4.84     16
   7       C    -0.08    -2.43     5.38     -19.65      -0.11    -2.54     16
   8       C    -0.06    -1.06     9.66      22.24       0.21    -0.84     16
   9       C    -0.07    -0.46    10.04      22.33       0.22    -0.24     16
  10       C    -0.04    -0.21    10.04      22.24       0.22     0.01     16
  11       C    -0.11    -1.81     9.76      22.49       0.22    -1.59     16
  12       C     0.31     9.40     9.67      22.83       0.22     9.62     16
  13       O    -0.70   -33.29    12.21    -127.47      -1.56   -34.85     16
  14       O    -0.77   -34.67    17.28    -127.47      -2.20   -36.87     16
  15       C    -0.06    -3.19     4.69     -19.88      -0.09    -3.29     16
  16       C    -0.13    -5.72     9.00      22.28       0.20    -5.52     16
  17       C    -0.10    -3.32    10.04      22.25       0.22    -3.10     16
  18       C    -0.15    -4.78     9.99      22.37       0.22    -4.55     16
  19       C     0.10     3.95     6.70      22.51       0.15     4.10     16
  20       O    -0.50   -16.14    13.50     -92.44      -1.25   -17.39     16
  21       C    -0.16    -7.55     9.61      22.37       0.21    -7.33     16
  22       H     0.02     1.24     7.58      -2.39      -0.02     1.23     16
  23       H     0.34    16.39     6.18     -89.69      -0.55    15.84     16
  24       H     0.05     2.17     5.96      -2.38      -0.01     2.16     16
  25       H     0.07     3.23     7.94      -2.39      -0.02     3.21     16
  26       H     0.18     3.19     8.03      -2.91      -0.02     3.16     16
  27       H     0.21    -0.68     8.06      -2.91      -0.02    -0.70     16
  28       H     0.23    -1.26     8.06      -2.91      -0.02    -1.28     16
  29       H     0.18     2.99     7.80      -2.91      -0.02     2.97     16
  30       H     0.32    14.80     8.91     -74.05      -0.66    14.14     16
  31       H     0.32    13.55     8.91     -74.06      -0.66    12.89     16
  32       H     0.12     5.56     7.72      -2.91      -0.02     5.54     16
  33       H     0.17     4.22     8.06      -2.91      -0.02     4.20     16
  34       H     0.16     3.98     8.06      -2.91      -0.02     3.96     16
  35       H     0.41     8.98     9.06     -74.06      -0.67     8.31     16
  36       H     0.11     5.16     8.04      -2.91      -0.02     5.14     16
 Total:         -1.00  -112.08   320.74                 -6.64  -118.72