REAL300009850879.mol2 38                                                        
   1       O    -0.73   -51.57    18.00      19.07       0.34   -51.23     16
   2       C     0.48    30.77     5.31      71.24       0.38    31.15     16
   3       O    -0.71   -49.88    17.34      19.06       0.33   -49.55     16
   4       C     0.05     2.39     3.29      44.51       0.15     2.54     16
   5       C    -0.08    -3.38     6.38      30.39       0.19    -3.19     16
   6       C     0.00    -0.07     7.27      45.17       0.33     0.26     16
   7       C     0.63    16.24     7.77      86.34       0.67    16.91     16
   8       O    -0.53   -17.00    16.48      -4.41      -0.07   -17.07     16
   9       N    -0.67    -9.08     5.56    -446.88      -2.49   -11.57     16
  10       C     0.08     0.80     6.43      44.99       0.29     1.09     16
  11       H     0.17     2.82     7.40      -2.39      -0.02     2.80     16
  12       C    -0.11     0.00    10.46      30.60       0.32     0.32     16
  13       C     0.31     2.79     9.70      30.59       0.30     3.08     16
  14       H     0.24    -0.37     8.14      -2.39      -0.02    -0.38     16
  15       O    -0.75   -24.08    17.78    -127.47      -2.27   -26.35     16
  16       O    -0.78   -29.82    17.78    -127.47      -2.27   -32.09     16
  17       N    -0.15    -5.11    10.89     -43.41      -0.47    -5.58     16
  18       N    -0.43   -18.41     3.52    -319.36      -1.13   -19.53     16
  19       C     0.20     8.01     6.40      38.25       0.24     8.26     16
  20       C    -0.19    -8.00     9.02      22.41       0.20    -7.79     16
  21       C    -0.09    -2.85    10.04      22.25       0.22    -2.63     16
  22       C    -0.16    -3.77    10.04      22.30       0.22    -3.55     16
  23       C    -0.08    -1.82    10.04      22.25       0.22    -1.59     16
  24       C    -0.17    -4.97     9.64      22.41       0.22    -4.75     16
  25       H     0.10     4.39     8.14      -2.39      -0.02     4.37     16
  26       H     0.07     3.36     7.72      -2.39      -0.02     3.34     16
  27       H     0.13     4.29     8.14      -2.39      -0.02     4.27     16
  28       H     0.43     3.16     8.45     -92.70      -0.78     2.38     16
  29       H     0.22    -2.20     8.14      -2.39      -0.02    -2.22     16
  30       H     0.18     0.11     8.14      -2.38      -0.02     0.10     16
  31       H     0.33     9.89     8.90     -74.06      -0.66     9.24     16
  32       H     0.32    11.29     8.90     -74.06      -0.66    10.63     16
  33       H     0.08     4.05     6.37      -2.91      -0.02     4.04     16
  34       H     0.14     3.78     8.06      -2.91      -0.02     3.75     16
  35       H     0.16     2.57     8.06      -2.91      -0.02     2.55     16
  36       H     0.17     2.34     8.06      -2.91      -0.02     2.32     16
  37       H     0.15     3.60     7.66      -2.91      -0.02     3.57     16
 Total:         -1.00  -115.70   339.45                 -6.40  -122.10