REAL300018692301.mol2 42                                                        
   1       O    -0.68   -15.32    18.00     -20.23      -0.36   -15.68     16
   2       C     0.52     9.45     7.51      36.01       0.27     9.72     16
   3       O    -0.68   -14.84    17.46     -20.22      -0.35   -15.19     16
   4       C    -0.15    -1.11     1.43    -149.98      -0.22    -1.32     16
   5       C    -0.10    -0.34     5.93     -24.13      -0.14    -0.49     16
   6       C    -0.15     0.83     5.15     -24.27      -0.13     0.71     16
   7       C     0.04    -0.27     1.50     -86.95      -0.13    -0.40     16
   8       C     0.03    -0.57     5.44      -3.82      -0.02    -0.59     16
   9       N    -0.51    10.63     1.72    -115.06      -0.20    10.43     16
  10       H     0.43    -9.16     7.83     -39.29      -0.31    -9.47     16
  11       H     0.44    -9.34     8.61     -39.29      -0.34    -9.67     16
  12       C     0.05    -1.03     5.50      -4.97      -0.03    -1.05     16
  13       C    -0.13     2.19     5.35    -104.67      -0.56     1.63     16
  14       C    -0.08     1.41     9.70     -39.49      -0.38     1.03     16
  15       C    -0.07     0.99    10.03     -39.63      -0.40     0.59     16
  16       C    -0.08     0.81     9.75     -39.25      -0.38     0.42     16
  17       C     0.30    -2.39     9.80     -38.72      -0.38    -2.77     16
  18       O    -0.65    -0.53    17.25     -57.73      -1.00    -1.52     16
  19       O    -0.63    -0.98    17.25     -57.73      -1.00    -1.98     16
  20       C    -0.09     1.16     9.40     -39.25      -0.37     0.79     16
  21       C    -0.11    -0.12     5.68     -22.32      -0.13    -0.25     16
  22       O    -0.40     1.26    11.22     -35.23      -0.40     0.86     16
  23       C     0.07     0.30     6.91      38.84       0.27     0.57     16
  24       H     0.07     0.36     8.14     -51.93      -0.42    -0.06     16
  25       H     0.08     0.33     7.88     -51.93      -0.41    -0.08     16
  26       H     0.08    -0.62     8.14     -51.93      -0.42    -1.04     16
  27       H     0.07    -0.56     8.14     -51.93      -0.42    -0.98     16
  28       H     0.14    -2.52     8.14     -51.93      -0.42    -2.95     16
  29       H     0.15    -2.72     8.14     -51.93      -0.42    -3.14     16
  30       H     0.15    -3.60     8.08     -51.93      -0.42    -4.02     16
  31       H     0.15    -3.36     8.08     -51.93      -0.42    -3.78     16
  32       H     0.16    -3.22     8.06     -52.49      -0.42    -3.65     16
  33       H     0.18    -2.74     8.06     -52.49      -0.42    -3.17     16
  34       H     0.18    -1.61     7.77     -52.49      -0.41    -2.02     16
  35       H     0.35    -0.29     8.90      45.56       0.41     0.12     16
  36       H     0.35    -0.19     8.90      45.56       0.41     0.21     16
  37       H     0.18    -2.34     7.77     -52.48      -0.41    -2.75     16
  38       H     0.09     0.20     8.14     -51.93      -0.42    -0.23     16
  39       H     0.09     0.09     8.14     -51.93      -0.42    -0.33     16
  40       H     0.08     0.46     8.14     -51.93      -0.42     0.03     16
  41       H     0.09     0.36     7.84     -51.93      -0.41    -0.04     16
 Total:          0.00   -48.94   344.91                 -7.36   -56.30