REAL300019781668.mol2 35                                                        
   1       O    -0.45   -10.42    12.38       5.35       0.07   -10.35     16
   2       C     0.55     9.20     7.28     -12.22      -0.09     9.11     16
   3       C    -0.11    -1.23     5.41    -104.89      -0.57    -1.80     16
   4       C    -0.07    -0.54     7.33     -39.23      -0.29    -0.82     16
   5       C    -0.11    -0.95     9.74     -39.31      -0.38    -1.33     16
   6       C     0.34     3.78     9.79     -38.76      -0.38     3.40     16
   7       O    -0.67   -11.40    17.23     -57.73      -0.99   -12.40     16
   8       O    -0.68   -11.18    17.23     -57.73      -0.99   -12.17     16
   9       C    -0.11    -1.09     9.74     -39.30      -0.38    -1.47     16
  10       C    -0.02    -0.22     9.61     -39.23      -0.38    -0.60     16
  11       N    -0.60    -9.00     2.80    -168.65      -0.47    -9.48     16
  12       C     0.08     0.71     5.37      -4.25      -0.02     0.69     16
  13       C    -0.11    -0.93     6.05      37.01       0.22    -0.71     16
  14       S    -0.26    -3.17    22.30    -107.50      -2.40    -5.57     16
  15       C    -0.07    -1.20     5.68      37.28       0.21    -0.98     16
  16       C     0.27     4.90     3.26     -69.02      -0.23     4.68     16
  17       C     0.08     1.95     4.40    -156.72      -0.69     1.26     16
  18       N    -0.37   -10.55    10.91      32.44       0.35   -10.19     16
  19       N    -0.19    -5.96    13.42      60.35       0.81    -5.15     16
  20       N    -0.20    -6.05    13.45      60.35       0.81    -5.24     16
  21       N    -0.38   -10.99    11.85      32.44       0.38   -10.61     16
  22       H     0.18     1.06     4.39     -52.49      -0.23     0.83     16
  23       H     0.18     1.29     7.75     -52.49      -0.41     0.88     16
  24       H     0.33     4.64     8.90      45.56       0.41     5.05     16
  25       H     0.33     4.54     8.90      45.56       0.41     4.94     16
  26       H     0.18     1.69     7.75     -52.49      -0.41     1.29     16
  27       H     0.18     2.00     8.03     -52.49      -0.42     1.57     16
  28       H     0.11     0.74     3.52     -52.66      -0.19     0.56     16
  29       H     0.09     0.79     8.14     -51.93      -0.42     0.37     16
  30       H     0.12     0.66     8.14     -51.93      -0.42     0.24     16
  31       H     0.09     0.71     7.35     -51.92      -0.38     0.33     16
  32       H     0.12     1.94     8.14     -51.92      -0.42     1.51     16
  33       H     0.10     1.78     7.99     -51.93      -0.41     1.36     16
  34       H     0.10     1.68     8.14     -51.93      -0.42     1.26     16
 Total:         -1.00   -40.82   302.36                 -4.17   -44.99