REAL300013458638.mol2 40                                                        
   1       O    -0.70   -25.07    17.07     -20.23      -0.35   -25.42     16
   2       C     0.49    16.12     7.55      36.00       0.27    16.39     16
   3       O    -0.70   -25.09    17.07     -20.22      -0.35   -25.44     16
   4       C    -0.15    -3.73     2.65     -91.78      -0.24    -3.97     16
   5       H     0.06     1.42     8.14     -51.93      -0.42     1.00     16
   6       C    -0.09    -1.87     4.80     -26.73      -0.13    -2.00     16
   7       C    -0.11    -1.60     5.08     -26.73      -0.14    -1.73     16
   8       C    -0.10    -1.27     2.22     -90.62      -0.20    -1.47     16
   9       H     0.08     0.97     8.14     -51.93      -0.42     0.55     16
  10       C     0.14     1.50     5.06      -4.05      -0.02     1.48     16
  11       N    -0.73    -6.69     5.29     -65.23      -0.34    -7.03     16
  12       C     0.70     7.00     8.38     -86.92      -0.73     6.27     16
  13       O    -0.56    -6.96    13.73       5.29       0.07    -6.89     16
  14       N    -0.67    -5.37     5.34     -12.63      -0.07    -5.44     16
  15       C     0.23     1.84     6.51     -81.29      -0.53     1.31     16
  16       C    -0.13    -0.80     8.55     -39.97      -0.34    -1.15     16
  17       C    -0.02    -0.07     9.83     -40.14      -0.39    -0.47     16
  18       C    -0.11    -0.47    10.27     -37.01      -0.38    -0.85     16
  19       C     0.19     1.60     7.36     -79.59      -0.59     1.02     16
  20       C     0.15     1.45     7.34     -79.31      -0.58     0.87     16
  21       N    -0.37    -4.53    19.00      35.14       0.67    -3.86     16
  22       N    -0.30    -3.35    19.05      34.97       0.67    -2.69     16
  23       C    -0.11    -1.60     5.21     -26.71      -0.14    -1.74     16
  24       C    -0.09    -1.88     4.80     -26.71      -0.13    -2.00     16
  25       H     0.07     1.44     7.85     -51.93      -0.41     1.03     16
  26       H     0.05     1.10     8.14     -51.93      -0.42     0.68     16
  27       H     0.05     0.60     7.18     -51.93      -0.37     0.23     16
  28       H     0.06     0.86     8.14     -51.93      -0.42     0.43     16
  29       H     0.07     0.76     8.14     -51.93      -0.42     0.34     16
  30       H     0.07     0.79     8.14     -51.93      -0.42     0.37     16
  31       H     0.40     3.02     7.67     -40.82      -0.31     2.70     16
  32       H     0.41     2.65     8.84     -40.82      -0.36     2.29     16
  33       H     0.17     1.19     6.03     -52.48      -0.32     0.87     16
  34       H     0.15     0.02     8.06     -52.49      -0.42    -0.41     16
  35       H     0.16     0.24     8.06     -52.49      -0.42    -0.18     16
  36       H     0.06     0.87     8.14     -51.93      -0.42     0.45     16
  37       H     0.06     0.76     8.14     -51.93      -0.42     0.34     16
  38       H     0.07     1.49     7.85     -51.93      -0.41     1.09     16
  39       H     0.05     1.13     8.14     -51.92      -0.42     0.71     16
 Total:         -1.00   -41.50   327.00                 -5.87   -47.36