REAL300018088301.mol2 44                                                        
   1       O    -0.67   -17.21    17.99     -20.56      -0.37   -17.58     16
   2       C     0.56    12.94     8.05      34.42       0.28    13.21     16
   3       O    -0.67   -17.45    17.82     -20.57      -0.37   -17.82     16
   4       C     0.03     0.45     7.13     -82.81      -0.59    -0.14     16
   5       N    -0.28    -3.09    11.16      33.39       0.37    -2.72     16
   6       N    -0.28    -1.50     3.52     -10.56      -0.04    -1.54     16
   7       C     0.18    -0.27     6.66     -83.61      -0.56    -0.82     16
   8       C    -0.11     0.52     9.43     -39.40      -0.37     0.15     16
   9       C    -0.09     0.73    10.04     -39.61      -0.40     0.34     16
  10       C    -0.12     1.46     9.70     -39.55      -0.38     1.08     16
  11       C    -0.14     1.94     5.35    -104.65      -0.56     1.38     16
  12       C     0.05    -1.03     5.50      -4.97      -0.03    -1.05     16
  13       N    -0.51    12.43     1.74    -116.34      -0.20    12.23     16
  14       H     0.43   -10.37     8.66     -39.29      -0.34   -10.71     16
  15       H     0.43   -11.19     8.66     -39.29      -0.34   -11.53     16
  16       C     0.05    -1.12     5.50      -4.98      -0.03    -1.15     16
  17       C    -0.16     3.10     5.36    -104.52      -0.56     2.54     16
  18       C    -0.05     0.78     9.68     -39.63      -0.38     0.39     16
  19       C    -0.11     1.10     9.75     -39.25      -0.38     0.72     16
  20       C     0.32    -2.39     9.80     -38.73      -0.38    -2.76     16
  21       O    -0.64    -1.18    17.25     -57.73      -1.00    -2.18     16
  22       O    -0.63    -1.42    17.25     -57.73      -1.00    -2.42     16
  23       C    -0.11     1.23     9.75     -39.25      -0.38     0.85     16
  24       C    -0.05     0.91     9.68     -39.63      -0.38     0.53     16
  25       C    -0.10     0.65     9.25     -39.40      -0.36     0.28     16
  26       C    -0.05    -0.25    10.78     -16.80      -0.18    -0.43     16
  27       C    -0.17    -1.91    10.80     -39.32      -0.42    -2.34     16
  28       H     0.14    -0.68     6.64     -52.49      -0.35    -1.03     16
  29       H     0.14    -1.42     8.06     -52.49      -0.42    -1.84     16
  30       H     0.13    -2.16     8.06     -52.48      -0.42    -2.58     16
  31       H     0.14    -2.97     8.08     -51.93      -0.42    -3.39     16
  32       H     0.14    -3.30     8.08     -51.93      -0.42    -3.72     16
  33       H     0.15    -3.84     8.08     -51.93      -0.42    -4.26     16
  34       H     0.15    -3.67     8.08     -51.93      -0.42    -4.09     16
  35       H     0.17    -3.14     8.06     -52.49      -0.42    -3.57     16
  36       H     0.18    -1.57     7.77     -52.49      -0.41    -1.98     16
  37       H     0.35    -0.06     8.90      45.56       0.41     0.35     16
  38       H     0.35     0.03     8.90      45.56       0.41     0.44     16
  39       H     0.18    -1.83     7.77     -52.49      -0.41    -2.24     16
  40       H     0.17    -3.52     8.06     -52.49      -0.42    -3.94     16
  41       H     0.15    -0.79     7.65     -52.49      -0.40    -1.19     16
  42       H     0.18     0.08     6.96     -52.49      -0.37    -0.29     16
  43       H     0.16     1.67     8.06     -52.49      -0.42     1.25     16
 Total:          0.00   -59.29   383.46                 -8.49   -67.78