REAL300018456114.mol2 38                                                        
   1       O    -0.68   -24.16    17.17     -20.53      -0.35   -24.52     16
   2       C     0.53    17.98     8.03      34.57       0.28    18.26     16
   3       O    -0.66   -24.36    17.77     -20.53      -0.36   -24.72     16
   4       C     0.07     1.91     6.73     -83.11      -0.56     1.35     16
   5       C    -0.13    -3.07     9.42     -38.58      -0.36    -3.44     16
   6       C     0.01     0.13     5.74    -106.84      -0.61    -0.49     16
   7       C    -0.16    -2.37     9.79     -39.52      -0.39    -2.76     16
   8       C    -0.06    -0.71     9.94     -39.96      -0.40    -1.11     16
   9       C    -0.23    -2.37     9.29     -39.33      -0.37    -2.74     16
  10       C     0.24     2.84     6.67     -83.57      -0.56     2.28     16
  11       N    -0.74    -5.60     5.65     -59.61      -0.34    -5.94     16
  12       C     0.17     0.63     5.03      -5.19      -0.03     0.61     16
  13       C    -0.10    -0.30     5.26    -104.53      -0.55    -0.85     16
  14       C    -0.05    -0.17     9.68     -39.63      -0.38    -0.55     16
  15       C    -0.11    -0.59     9.75     -39.25      -0.38    -0.97     16
  16       C     0.33     2.66     9.80     -38.72      -0.38     2.28     16
  17       O    -0.67   -10.13    17.25     -57.73      -1.00   -11.13     16
  18       O    -0.67   -10.13    17.25     -57.73      -1.00   -11.12     16
  19       C    -0.11    -0.59     9.75     -39.25      -0.38    -0.97     16
  20       C    -0.05    -0.17     9.68     -39.63      -0.38    -0.55     16
  21       C    -0.16    -2.59     5.76    -106.62      -0.61    -3.21     16
  22       C     0.12     2.22    10.75     -17.09      -0.18     2.04     16
  23       N    -0.44   -11.03    10.01      -9.58      -0.10   -11.13     16
  24       H     0.15     3.30     7.60     -52.49      -0.40     2.90     16
  25       H     0.12     1.63     8.06     -52.49      -0.42     1.21     16
  26       H     0.12     1.02     8.06     -52.48      -0.42     0.59     16
  27       H     0.12     0.85     6.69     -52.49      -0.35     0.49     16
  28       H     0.40     2.97     6.62     -40.82      -0.27     2.70     16
  29       H     0.08     0.24     7.88     -51.93      -0.41    -0.17     16
  30       H     0.08     0.24     7.88     -51.93      -0.41    -0.17     16
  31       H     0.17     0.17     8.06     -52.49      -0.42    -0.26     16
  32       H     0.17     0.96     7.77     -52.48      -0.41     0.56     16
  33       H     0.33     4.14     8.90      45.56       0.41     4.54     16
  34       H     0.33     4.14     8.90      45.56       0.41     4.54     16
  35       H     0.17     0.96     7.77     -52.49      -0.41     0.56     16
  36       H     0.17     0.17     8.06     -52.49      -0.42    -0.26     16
  37       H     0.14     1.97     6.48     -52.49      -0.34     1.63     16
 Total:         -1.00   -47.23   334.90                 -8.22   -55.45