REAL300019736544.mol2 40                                                        
   1       C    -0.15    -2.73     9.91      71.98       0.71    -2.01     16
   2       C    -0.11    -2.57     5.82      30.60       0.18    -2.39     16
   3       C    -0.10    -3.53     4.74      30.60       0.14    -3.39     16
   4       C     0.26    11.86     2.51      44.25       0.11    11.97     16
   5       N    -0.70   -25.76     4.52    -446.10      -2.01   -27.78     16
   6       C     0.50    20.33     7.67      87.66       0.67    21.00     16
   7       O    -0.59   -31.58    15.10       9.98       0.15   -31.43     16
   8       C    -0.14    -3.80     5.39      29.85       0.16    -3.64     16
   9       C     0.11     3.36     3.12      29.79       0.09     3.45     16
  10       O    -0.46   -23.38    13.97    -122.16      -1.71   -25.09     16
  11       O    -0.81   -45.01    18.54    -128.57      -2.38   -47.40     16
  12       C     0.26     6.07    10.27      22.77       0.23     6.31     16
  13       C    -0.12    -1.23    10.09      22.43       0.23    -1.00     16
  14       C    -0.04     0.14    10.04      22.27       0.22     0.36     16
  15       C    -0.06     0.42    10.04      22.34       0.22     0.64     16
  16       C    -0.05     0.00    10.04      22.24       0.22     0.22     16
  17       C    -0.07    -1.21     5.56     -19.69      -0.11    -1.32     16
  18       C     0.06     3.43     7.16     138.59       0.99     4.42     16
  19       N    -0.39   -25.09    12.43     -51.29      -0.64   -25.73     16
  20       N    -0.22   -15.82    13.47      37.02       0.50   -15.33     16
  21       N    -0.23   -16.30    13.47      37.02       0.50   -15.81     16
  22       N    -0.41   -28.52    12.43     -51.29      -0.64   -29.16     16
  23       H     0.07     1.07     8.14      -2.39      -0.02     1.05     16
  24       H     0.05     0.93     8.14      -2.39      -0.02     0.91     16
  25       H     0.06     1.06     8.14      -2.39      -0.02     1.04     16
  26       H     0.08     1.58     7.75      -2.39      -0.02     1.56     16
  27       H     0.06     1.44     8.14      -2.39      -0.02     1.42     16
  28       H     0.07     2.47     8.14      -2.39      -0.02     2.45     16
  29       H     0.06     2.16     8.14      -2.39      -0.02     2.14     16
  30       H     0.07     3.63     7.58      -2.39      -0.02     3.61     16
  31       H     0.42    11.64     8.60     -92.71      -0.80    10.84     16
  32       H     0.17     1.79     8.14      -2.39      -0.02     1.77     16
  33       H     0.09     2.67     8.14      -2.39      -0.02     2.65     16
  34       H     0.11     3.42     7.93      -2.39      -0.02     3.40     16
  35       H     0.32    18.08     9.30     -74.06      -0.69    17.39     16
  36       H     0.18     1.81     8.06      -2.91      -0.02     1.79     16
  37       H     0.22    -2.70     8.06      -2.91      -0.02    -2.72     16
  38       H     0.22    -3.63     8.06      -2.91      -0.02    -3.65     16
  39       H     0.22    -1.76     8.06      -2.91      -0.02    -1.78     16
 Total:         -1.00  -135.30   344.81                 -3.93  -139.23