REAL300009850661.mol2 44                                                        
   1       O    -0.71   -49.16    16.20      19.05       0.31   -48.85     16
   2       C     0.48    30.19     5.72      71.23       0.41    30.60     16
   3       O    -0.73   -51.22    18.00      19.04       0.34   -50.87     16
   4       C     0.05     2.37     3.29      44.51       0.15     2.51     16
   5       C    -0.08    -3.17     6.39      30.39       0.19    -2.97     16
   6       C     0.00     0.07     7.06      45.16       0.32     0.39     16
   7       C     0.62    15.50     7.65      86.33       0.66    16.16     16
   8       O    -0.53   -15.74    16.36      -4.44      -0.07   -15.82     16
   9       N    -0.61    -8.62     2.97    -823.23      -2.44   -11.06     16
  10       C     0.14     0.88     6.44      86.51       0.56     1.44     16
  11       C    -0.19    -1.79     6.10      30.82       0.19    -1.61     16
  12       C     0.39     4.86     5.51      30.62       0.17     5.03     16
  13       O    -0.77   -26.79    17.78    -127.47      -2.27   -29.06     16
  14       O    -0.78   -29.72    16.95    -127.47      -2.16   -31.88     16
  15       C    -0.18    -2.44     5.25      30.67       0.16    -2.28     16
  16       C     0.09     0.99     6.30      86.36       0.54     1.53     16
  17       N    -0.16    -5.28     7.56     -43.42      -0.33    -5.60     16
  18       N    -0.44   -18.27     3.55    -319.37      -1.13   -19.40     16
  19       C     0.21     8.32     6.15      38.25       0.24     8.55     16
  20       C    -0.17    -5.27     9.64      22.41       0.22    -5.06     16
  21       C    -0.08    -2.03    10.04      22.25       0.22    -1.80     16
  22       C    -0.16    -4.04    10.04      22.30       0.22    -3.82     16
  23       C    -0.09    -3.01    10.04      22.25       0.22    -2.79     16
  24       C    -0.18    -7.53     8.50      22.41       0.19    -7.34     16
  25       H     0.10     4.41     8.14      -2.39      -0.02     4.39     16
  26       H     0.13     4.17     8.14      -2.39      -0.02     4.15     16
  27       H     0.07     3.32     7.73      -2.39      -0.02     3.30     16
  28       H     0.15    -0.48     8.14      -2.39      -0.02    -0.50     16
  29       H     0.13     1.13     7.04      -2.39      -0.02     1.11     16
  30       H     0.09     1.42     8.14      -2.39      -0.02     1.40     16
  31       H     0.15     0.93     8.14      -2.39      -0.02     0.91     16
  32       H     0.21     0.22     8.14      -2.39      -0.02     0.20     16
  33       H     0.32    10.58     8.90     -74.06      -0.66     9.92     16
  34       H     0.32    11.46     8.90     -74.06      -0.66    10.80     16
  35       H     0.08     1.81     7.98      -2.38      -0.02     1.79     16
  36       H     0.14     1.56     8.14      -2.38      -0.02     1.54     16
  37       H     0.15     2.66     3.70     -99.68      -0.37     2.29     16
  38       H     0.15     0.06     8.14      -2.39      -0.02     0.04     16
  39       H     0.14     3.67     7.66      -2.91      -0.02     3.64     16
  40       H     0.16     2.68     8.06      -2.91      -0.02     2.65     16
  41       H     0.16     2.80     8.06      -2.91      -0.02     2.78     16
  42       H     0.14     3.86     8.06      -2.91      -0.02     3.84     16
  43       H     0.08     4.02     6.38      -2.91      -0.02     4.00     16
 Total:         -1.00  -110.62   361.08                 -5.10  -115.72