REAL300013458590.mol2 37                                                        
   1       O    -0.70   -24.77    16.88     -20.23      -0.34   -25.11     16
   2       C     0.49    16.25     8.05      36.00       0.29    16.54     16
   3       O    -0.71   -26.05    18.00     -20.23      -0.36   -26.41     16
   4       C    -0.17    -4.39     5.76     -27.88      -0.16    -4.55     16
   5       C    -0.06    -1.28     4.63     -27.88      -0.13    -1.41     16
   6       C    -0.05    -0.77     5.13    -104.65      -0.54    -1.30     16
   7       C    -0.13    -1.95     9.70     -39.55      -0.38    -2.33     16
   8       C    -0.10    -1.35    10.04     -39.61      -0.40    -1.75     16
   9       C    -0.13    -1.74     8.69     -39.39      -0.34    -2.08     16
  10       C     0.15     1.91     6.29     -83.69      -0.53     1.38     16
  11       N    -0.67    -6.45     5.34     -14.23      -0.08    -6.53     16
  12       C     0.71     6.82     8.22     -86.92      -0.71     6.10     16
  13       O    -0.55    -6.42    11.18       5.28       0.06    -6.36     16
  14       N    -0.67    -4.87     5.34     -12.63      -0.07    -4.93     16
  15       C     0.22     1.66     6.51     -81.30      -0.53     1.13     16
  16       C    -0.12    -0.71     8.55     -39.97      -0.34    -1.05     16
  17       C    -0.02    -0.06     9.83     -40.14      -0.39    -0.46     16
  18       C    -0.11    -0.40    10.27     -37.00      -0.38    -0.78     16
  19       C     0.19     1.50     7.36     -79.59      -0.59     0.91     16
  20       C     0.15     1.35     7.34     -79.31      -0.58     0.77     16
  21       N    -0.37    -4.30    19.00      35.14       0.67    -3.63     16
  22       N    -0.30    -3.13    19.05      34.97       0.67    -2.46     16
  23       C    -0.14    -2.04     9.62     -39.39      -0.38    -2.42     16
  24       H     0.06     1.34     8.14     -51.93      -0.42     0.92     16
  25       H     0.06     1.39     8.14     -51.93      -0.42     0.97     16
  26       H     0.07     1.61     8.04     -51.93      -0.42     1.19     16
  27       H     0.07     1.54     8.04     -51.93      -0.42     1.13     16
  28       H     0.12     1.77     8.06     -52.49      -0.42     1.35     16
  29       H     0.12     1.32     8.06     -52.49      -0.42     0.90     16
  30       H     0.14     1.77     6.24     -52.48      -0.33     1.44     16
  31       H     0.41     2.79     8.85     -40.82      -0.36     2.43     16
  32       H     0.42     2.27     8.85     -40.82      -0.36     1.91     16
  33       H     0.17     1.12     6.03     -52.49      -0.32     0.80     16
  34       H     0.15    -0.04     8.06     -52.49      -0.42    -0.46     16
  35       H     0.17     0.17     8.06     -52.49      -0.42    -0.26     16
  36       H     0.12     1.67     8.06     -52.49      -0.42     1.25     16
 Total:         -1.00   -42.45   323.41                 -5.84   -48.29