REAL300018692300.mol2 42                                                        
   1       O    -0.75   -38.02    18.00      19.04       0.34   -37.67     16
   2       C     0.49    19.76     7.51      71.23       0.54    20.30     16
   3       O    -0.73   -35.25    17.46      19.06       0.33   -34.92     16
   4       C    -0.18    -2.83     1.43     -49.24      -0.07    -2.90     16
   5       C    -0.11    -0.51     5.93      32.28       0.19    -0.32     16
   6       C    -0.13     2.75     5.14      32.19       0.17     2.91     16
   7       C     0.07    -1.63     1.61      -8.36      -0.01    -1.64     16
   8       C     0.06    -2.91     5.51      86.30       0.48    -2.43     16
   9       N    -0.51    28.96     1.72    -517.94      -0.89    28.07     16
  10       H     0.44   -25.25     8.67     -89.69      -0.78   -26.02     16
  11       H     0.44   -26.71     7.83     -89.70      -0.70   -27.41     16
  12       C     0.06    -3.40     5.50      85.56       0.47    -2.93     16
  13       C    -0.11     5.26     5.36     -19.80      -0.11     5.16     16
  14       C    -0.02     0.69     9.68      22.24       0.22     0.91     16
  15       C    -0.13     2.99     9.75      22.49       0.22     3.21     16
  16       C     0.33    -4.54     9.80      22.83       0.22    -4.31     16
  17       O    -0.75   -10.07    17.25    -127.47      -2.20   -12.27     16
  18       O    -0.75   -10.53    17.25    -127.47      -2.20   -12.73     16
  19       C    -0.12     3.07     9.75      22.48       0.22     3.29     16
  20       C    -0.01     0.53     9.68      22.24       0.22     0.74     16
  21       C    -0.11     0.20     5.71      33.52       0.19     0.39     16
  22       O    -0.37     4.38    11.27    -148.98      -1.68     2.70     16
  23       C     0.09     0.72     6.75      73.07       0.49     1.21     16
  24       H     0.05     0.42     8.14      -2.39      -0.02     0.40     16
  25       H     0.05     0.43     7.88      -2.39      -0.02     0.41     16
  26       H     0.11    -3.08     8.14      -2.39      -0.02    -3.10     16
  27       H     0.13    -4.00     8.14      -2.39      -0.02    -4.02     16
  28       H     0.20   -10.71     8.14      -2.39      -0.02   -10.73     16
  29       H     0.17    -8.43     8.14      -2.39      -0.02    -8.45     16
  30       H     0.19   -12.77     8.08      -2.39      -0.02   -12.79     16
  31       H     0.18   -11.66     8.08      -2.39      -0.02   -11.68     16
  32       H     0.22   -10.95     8.06      -2.91      -0.02   -10.98     16
  33       H     0.16    -2.93     7.77      -2.91      -0.02    -2.95     16
  34       H     0.33     3.90     8.90     -74.06      -0.66     3.24     16
  35       H     0.33     4.04     8.90     -74.06      -0.66     3.38     16
  36       H     0.17    -3.28     7.77      -2.91      -0.02    -3.30     16
  37       H     0.23   -12.15     8.06      -2.91      -0.02   -12.17     16
  38       H     0.09    -0.26     8.14      -2.39      -0.02    -0.28     16
  39       H     0.07     0.14     8.14      -2.39      -0.02     0.12     16
  40       H     0.04     0.57     8.14      -2.39      -0.02     0.55     16
  41       H     0.07     0.66     7.84      -2.39      -0.02     0.64     16
 Total:          0.00  -162.41   345.04                 -5.99  -168.41