REAL300013458625.mol2 42                                                        
   1       O    -0.70   -25.66    16.88     -20.23      -0.34   -26.00     16
   2       C     0.49    16.75     8.05      36.01       0.29    17.04     16
   3       O    -0.71   -26.84    18.00     -20.22      -0.36   -27.20     16
   4       C    -0.18    -4.80     5.78     -27.88      -0.16    -4.96     16
   5       C    -0.09    -2.03     4.50     -26.73      -0.12    -2.15     16
   6       C    -0.12    -1.90     5.21     -26.73      -0.14    -2.04     16
   7       C    -0.12    -1.44     5.21     -26.74      -0.14    -1.58     16
   8       C    -0.12    -1.03     5.21     -26.73      -0.14    -1.17     16
   9       C    -0.13    -0.87     5.33     -26.73      -0.14    -1.02     16
  10       C     0.13     0.87     5.67      -4.04      -0.02     0.85     16
  11       N    -0.73    -4.04     5.56     -65.23      -0.36    -4.41     16
  12       C     0.70     5.13     8.33     -86.93      -0.72     4.41     16
  13       O    -0.56    -5.59    13.49       5.29       0.07    -5.52     16
  14       N    -0.67    -3.89     5.36     -12.63      -0.07    -3.95     16
  15       C     0.24     1.55     6.64     -81.29      -0.54     1.01     16
  16       C    -0.16    -0.78     8.58     -39.97      -0.34    -1.13     16
  17       C     0.00    -0.01     9.83     -40.13      -0.39    -0.40     16
  18       C    -0.13    -0.38    10.27     -37.01      -0.38    -0.76     16
  19       C     0.20     1.40     7.36     -79.58      -0.59     0.81     16
  20       C     0.14     1.15     7.33     -79.31      -0.58     0.56     16
  21       N    -0.39    -4.15    18.95      35.14       0.67    -3.48     16
  22       N    -0.27    -2.63    19.05      34.97       0.67    -1.97     16
  23       H     0.05     1.34     8.14     -51.93      -0.42     0.92     16
  24       H     0.05     1.34     8.14     -51.93      -0.42     0.92     16
  25       H     0.06     1.31     8.10     -51.93      -0.42     0.89     16
  26       H     0.06     1.31     8.10     -51.93      -0.42     0.89     16
  27       H     0.06     0.84     8.14     -51.93      -0.42     0.41     16
  28       H     0.06     0.84     8.14     -51.93      -0.42     0.41     16
  29       H     0.06     0.76     8.14     -51.93      -0.42     0.33     16
  30       H     0.06     0.75     8.14     -51.93      -0.42     0.33     16
  31       H     0.07     0.57     8.14     -51.93      -0.42     0.15     16
  32       H     0.06     0.58     8.14     -51.93      -0.42     0.16     16
  33       H     0.07     0.45     8.14     -51.93      -0.42     0.03     16
  34       H     0.07     0.44     8.14     -51.93      -0.42     0.02     16
  35       H     0.07     0.51     8.14     -51.93      -0.42     0.09     16
  36       H     0.07     0.54     8.14     -51.92      -0.42     0.11     16
  37       H     0.40     1.26     8.49     -40.82      -0.35     0.91     16
  38       H     0.41     1.74     8.77     -40.82      -0.36     1.38     16
  39       H     0.17     1.00     5.60     -52.49      -0.29     0.70     16
  40       H     0.15    -0.16     8.06     -52.49      -0.42    -0.58     16
  41       H     0.17     0.05     8.06     -52.49      -0.42    -0.37     16
 Total:         -1.00   -43.74   353.50                 -6.29   -50.03