REAL300020188366.mol2 41                                                        
   1       O    -0.58   -23.76    14.87       9.25       0.14   -23.62     16
   2       C     0.51    15.53     7.59      87.66       0.67    16.20     16
   3       C    -0.15    -2.96     3.73      29.85       0.11    -2.85     16
   4       C     0.12     2.76     3.12      29.79       0.09     2.86     16
   5       O    -0.46   -17.58    14.02    -122.38      -1.72   -19.30     16
   6       O    -0.77   -33.62    18.54    -128.58      -2.38   -36.01     16
   7       C     0.26     4.50    10.28      22.77       0.23     4.74     16
   8       C    -0.12    -0.65    10.09      22.44       0.23    -0.42     16
   9       C    -0.04     0.24    10.04      22.27       0.22     0.46     16
  10       C    -0.07     0.47    10.04      22.34       0.22     0.70     16
  11       C    -0.06     0.02    10.04      22.24       0.22     0.24     16
  12       C    -0.08    -0.94     5.56     -19.69      -0.11    -1.05     16
  13       N    -0.61   -17.01     2.97    -817.99      -2.43   -19.43     16
  14       C     0.12     2.44     6.37      86.51       0.55     2.99     16
  15       C    -0.11    -3.30     5.36      30.82       0.17    -3.14     16
  16       C     0.03     1.02     2.62     -11.51      -0.03     0.99     16
  17       C     0.07     3.96     6.87     138.59       0.95     4.91     16
  18       N    -0.40   -23.42    12.43     -51.29      -0.64   -24.06     16
  19       N    -0.22   -14.18    13.47      37.02       0.50   -13.68     16
  20       N    -0.22   -14.29    13.47      37.02       0.50   -13.79     16
  21       N    -0.41   -24.80    12.43     -51.29      -0.64   -25.44     16
  22       C    -0.11    -3.87     5.34      30.68       0.16    -3.71     16
  23       C     0.12     3.80     6.43      86.37       0.56     4.35     16
  24       H     0.11     1.98     7.93      -2.38      -0.02     1.96     16
  25       H     0.14     1.45     7.70      -2.39      -0.02     1.43     16
  26       H     0.10     2.54     7.91      -2.39      -0.02     2.52     16
  27       H     0.33    13.68     9.30     -74.06      -0.69    12.99     16
  28       H     0.18     0.84     8.06      -2.91      -0.02     0.81     16
  29       H     0.22    -2.97     8.06      -2.91      -0.02    -2.99     16
  30       H     0.21    -3.11     8.06      -2.91      -0.02    -3.14     16
  31       H     0.20    -1.17     8.06      -2.91      -0.02    -1.20     16
  32       H     0.09     1.67     8.14      -2.39      -0.02     1.65     16
  33       H     0.12     1.61     5.93      -2.39      -0.01     1.60     16
  34       H     0.06     2.00     8.14      -2.39      -0.02     1.99     16
  35       H     0.08     2.25     8.14      -2.39      -0.02     2.23     16
  36       H     0.09     3.18     8.14      -2.39      -0.02     3.16     16
  37       H     0.05     2.09     8.14      -2.39      -0.02     2.07     16
  38       H     0.06     2.27     8.14      -2.38      -0.02     2.25     16
  39       H     0.08     2.64     7.01      -2.39      -0.02     2.62     16
  40       H     0.08     2.33     8.14      -2.39      -0.02     2.31     16
 Total:         -1.00  -112.37   340.65                 -3.42  -115.79