REAL300020185608.mol2 37                                                        
   1       O    -0.56   -13.15    16.24      -3.80      -0.06   -13.22     16
   2       C     0.57     9.15     7.39      86.86       0.64     9.79     16
   3       C    -0.11    -1.10     5.30     -20.04      -0.11    -1.21     16
   4       C    -0.02    -0.10     7.34      22.50       0.17     0.06     16
   5       C    -0.10    -0.84     9.74      22.45       0.22    -0.62     16
   6       C     0.34     5.48     9.79      22.80       0.22     5.71     16
   7       O    -0.74   -24.69    17.23    -127.47      -2.20   -26.88     16
   8       O    -0.73   -23.41    17.23    -127.47      -2.20   -25.61     16
   9       C    -0.10    -1.18     9.74      22.45       0.22    -0.96     16
  10       C     0.00    -0.04     9.60      22.50       0.22     0.17     16
  11       N    -0.59    -9.31     2.97    -822.07      -2.44   -11.75     16
  12       C     0.13     2.38     6.44      86.36       0.56     2.94     16
  13       C    -0.11    -3.26     5.34      30.67       0.16    -3.10     16
  14       C     0.03     0.86     2.62     -11.51      -0.03     0.83     16
  15       C     0.07     3.59     6.87     138.58       0.95     4.54     16
  16       N    -0.40   -22.85    12.43     -51.30      -0.64   -23.48     16
  17       N    -0.23   -14.08    13.47      37.02       0.50   -13.58     16
  18       N    -0.23   -14.00    13.47      37.02       0.50   -13.50     16
  19       N    -0.41   -23.49    12.43     -51.30      -0.64   -24.13     16
  20       C    -0.12    -2.93     5.34      30.66       0.16    -2.76     16
  21       C     0.10     1.15     4.78      86.35       0.41     1.56     16
  22       H     0.22    -0.44     6.05      -2.91      -0.02    -0.46     16
  23       H     0.20     1.45     7.75      -2.91      -0.02     1.42     16
  24       H     0.33     9.73     8.90     -74.06      -0.66     9.07     16
  25       H     0.34     9.47     8.90     -74.06      -0.66     8.81     16
  26       H     0.19     2.15     7.75      -2.91      -0.02     2.13     16
  27       H     0.19     1.30     8.00      -2.91      -0.02     1.28     16
  28       H     0.09     1.89     7.00      -2.39      -0.02     1.87     16
  29       H     0.11     1.44     8.14      -2.39      -0.02     1.42     16
  30       H     0.05     1.61     8.14      -2.39      -0.02     1.59     16
  31       H     0.06     1.94     8.14      -2.39      -0.02     1.92     16
  32       H     0.10     2.82     8.14      -2.39      -0.02     2.80     16
  33       H     0.07     1.92     8.14      -2.39      -0.02     1.90     16
  34       H     0.05     1.54     8.14      -2.39      -0.02     1.52     16
  35       H     0.12     0.76     4.45      -2.39      -0.01     0.75     16
  36       H     0.12     0.64     8.05      -2.39      -0.02     0.62     16
 Total:         -1.00   -93.60   311.45                 -4.95   -98.55