REAL300020232018.mol2 36                                                        
   1       C    -0.12    -1.09    10.76     101.05       1.09    -0.01     16
   2       S    -0.26    -3.30    22.38    -107.50      -2.41    -5.70     16
   3       C    -0.08    -0.99     5.83      37.16       0.22    -0.78     16
   4       C    -0.10    -1.58     4.74     -26.73      -0.13    -1.71     16
   5       C     0.29     5.38     2.51     -69.08      -0.17     5.21     16
   6       H     0.10     1.96     7.58     -51.93      -0.39     1.57     16
   7       N    -0.71   -11.19     4.52     -59.82      -0.27   -11.46     16
   8       C     0.71    11.49     8.34     -86.92      -0.72    10.76     16
   9       O    -0.55   -10.77    13.39       5.30       0.07   -10.70     16
  10       N    -0.67    -8.68     5.34     -12.63      -0.07    -8.74     16
  11       C     0.23     2.85     6.51     -81.30      -0.53     2.32     16
  12       C    -0.13    -1.47     8.55     -39.97      -0.34    -1.81     16
  13       C    -0.02    -0.12     9.83     -40.14      -0.39    -0.51     16
  14       C    -0.12    -0.88    10.27     -37.01      -0.38    -1.26     16
  15       C     0.19     2.16     7.36     -79.59      -0.59     1.58     16
  16       C     0.15     1.97     7.34     -79.31      -0.58     1.39     16
  17       N    -0.37    -5.42    19.00      35.14       0.67    -4.76     16
  18       N    -0.31    -4.22    19.04      34.97       0.67    -3.55     16
  19       C     0.04     1.02     7.16    -156.72      -1.12    -0.11     16
  20       N    -0.38   -10.48    12.43      32.43       0.40   -10.08     16
  21       N    -0.20    -6.01    13.47      60.35       0.81    -5.19     16
  22       N    -0.20    -6.02    13.47      60.35       0.81    -5.21     16
  23       N    -0.37   -10.82    12.43      32.43       0.40   -10.41     16
  24       H     0.10     0.76     8.14     -51.93      -0.42     0.34     16
  25       H     0.08     0.63     8.14     -51.93      -0.42     0.20     16
  26       H     0.07     0.61     8.14     -51.92      -0.42     0.19     16
  27       H     0.08     1.01     8.14     -51.92      -0.42     0.59     16
  28       H     0.08     0.90     7.75     -51.93      -0.40     0.50     16
  29       H     0.08     1.35     8.14     -51.93      -0.42     0.93     16
  30       H     0.09     1.58     8.14     -51.92      -0.42     1.16     16
  31       H     0.40     5.15     8.62     -40.82      -0.35     4.80     16
  32       H     0.41     4.48     8.84     -40.82      -0.36     4.12     16
  33       H     0.17     2.37     6.03     -52.48      -0.32     2.05     16
  34       H     0.15     0.69     8.06     -52.49      -0.42     0.27     16
  35       H     0.16     0.74     8.06     -52.48      -0.42     0.31     16
 Total:         -1.00   -35.94   328.46                 -2.82   -38.76