REAL300013458627.mol2 37                                                        
   1       C    -0.11    -2.38     7.90      37.16       0.29    -2.09     16
   2       C    -0.14    -3.31     0.69    -155.54      -0.11    -3.41     16
   3       C     0.51    15.77     6.72      36.00       0.24    16.01     16
   4       O    -0.69   -23.72    16.82     -20.23      -0.34   -24.06     16
   5       O    -0.69   -23.69    17.65     -20.23      -0.36   -24.05     16
   6       C    -0.09    -1.79     4.64     -26.53      -0.12    -1.91     16
   7       C    -0.14    -1.87     5.77     -26.45      -0.15    -2.02     16
   8       C     0.11     1.39     6.42      -3.71      -0.02     1.37     16
   9       N    -0.61    -9.96     2.41    -178.51      -0.43   -10.39     16
  10       C     0.70    11.15     7.98     -86.92      -0.69    10.45     16
  11       O    -0.56   -10.40    13.52       5.29       0.07   -10.33     16
  12       N    -0.67    -8.36     5.25     -12.63      -0.07    -8.43     16
  13       C     0.23     2.71     6.47     -81.29      -0.53     2.19     16
  14       C    -0.13    -1.29     8.50     -39.97      -0.34    -1.63     16
  15       C    -0.01    -0.09     9.83     -40.14      -0.39    -0.48     16
  16       C    -0.12    -0.77    10.27     -37.00      -0.38    -1.15     16
  17       C     0.19     2.04     7.36     -79.58      -0.59     1.46     16
  18       C     0.15     1.86     7.34     -79.31      -0.58     1.27     16
  19       N    -0.37    -5.35    19.00      35.14       0.67    -4.68     16
  20       N    -0.31    -3.98    19.05      34.97       0.67    -3.31     16
  21       C     0.16     3.34     4.45      -3.71      -0.02     3.33     16
  22       H     0.05     0.99     8.14     -51.93      -0.42     0.57     16
  23       H     0.06     1.21     8.09     -51.93      -0.42     0.79     16
  24       H     0.04     0.69     5.97     -51.93      -0.31     0.38     16
  25       H     0.07     1.46     8.06     -51.93      -0.42     1.04     16
  26       H     0.06     1.10     8.14     -51.93      -0.42     0.68     16
  27       H     0.07     0.80     8.14     -51.93      -0.42     0.38     16
  28       H     0.07     0.96     6.34     -51.93      -0.33     0.63     16
  29       H     0.07     0.91     8.14     -51.93      -0.42     0.49     16
  30       H     0.07     0.64     5.57     -51.93      -0.29     0.35     16
  31       H     0.41     4.39     6.28     -40.82      -0.26     4.13     16
  32       H     0.16     1.81     6.32     -52.49      -0.33     1.48     16
  33       H     0.15     0.44     8.06     -52.48      -0.42     0.02     16
  34       H     0.16     0.59     8.06     -52.49      -0.42     0.17     16
  35       H     0.09     2.21     7.03     -51.93      -0.37     1.85     16
  36       H     0.07     1.61     7.95     -51.93      -0.41     1.20     16
 Total:         -1.00   -38.88   298.33                 -4.35   -43.23