REAL300018479430.mol2 41                                                        
   1       O    -0.70   -10.49    16.46      19.04       0.31   -10.18     16
   2       C     0.48     5.04     6.09      71.23       0.43     5.48     16
   3       O    -0.71   -18.14    18.00      19.01       0.34   -17.80     16
   4       C     0.08    -0.94     2.80      43.42       0.12    -0.82     16
   5       N    -0.47    13.70     1.16    -503.38      -0.58    13.12     16
   6       H     0.44   -12.88     7.20     -89.69      -0.65   -13.52     16
   7       H     0.45   -18.31     8.50     -89.70      -0.76   -19.07     16
   8       C     0.05    -1.51     5.21      85.56       0.45    -1.06     16
   9       C    -0.10     2.99     5.36     -19.80      -0.11     2.88     16
  10       C    -0.02     0.54     9.68      22.24       0.22     0.75     16
  11       C    -0.11     1.47     9.75      22.48       0.22     1.69     16
  12       C     0.33    -2.20     9.80      22.82       0.22    -1.98     16
  13       O    -0.75   -13.62    17.25    -127.47      -2.20   -15.82     16
  14       O    -0.74   -11.95    17.25    -127.47      -2.20   -14.15     16
  15       C    -0.11     1.88     9.75      22.48       0.22     2.09     16
  16       C    -0.01     0.17     9.68      22.24       0.22     0.39     16
  17       C    -0.22     1.56     5.35     -18.63      -0.10     1.46     16
  18       C     0.09    -1.18    11.00      83.00       0.91    -0.27     16
  19       N    -0.58     5.37     6.07    -187.61      -1.14     4.23     16
  20       C     0.08    -0.05     7.28      39.03       0.28     0.23     16
  21       C    -0.14     0.05    10.08      22.37       0.23     0.28     16
  22       C    -0.11    -0.12    10.01      22.30       0.22     0.10     16
  23       C    -0.15    -0.59     9.97      22.03       0.22    -0.37     16
  24       C    -0.09    -0.50    10.05      22.23       0.22    -0.28     16
  25       C    -0.11    -0.24     6.35     -20.20      -0.13    -0.37     16
  26       H     0.16    -2.37     8.09      -2.39      -0.02    -2.39     16
  27       H     0.19    -6.83     8.05      -2.39      -0.02    -6.84     16
  28       H     0.13    -2.61     6.67      -2.39      -0.02    -2.63     16
  29       H     0.20    -4.80     8.06      -2.91      -0.02    -4.83     16
  30       H     0.17    -1.40     7.77      -2.91      -0.02    -1.42     16
  31       H     0.33     5.12     8.90     -74.06      -0.66     4.46     16
  32       H     0.34     4.64     8.90     -74.05      -0.66     3.98     16
  33       H     0.18    -2.74     7.77      -2.91      -0.02    -2.76     16
  34       H     0.24    -9.51     8.06      -2.90      -0.02    -9.53     16
  35       H     0.22    -5.95     7.44      -2.91      -0.02    -5.97     16
  36       H     0.44    -6.49     8.96     -92.70      -0.83    -7.32     16
  37       H     0.14    -0.74     8.06      -2.91      -0.02    -0.77     16
  38       H     0.14    -0.46     8.06      -2.91      -0.02    -0.48     16
  39       H     0.13     0.14     8.06      -2.91      -0.02     0.12     16
  40       H     0.12     0.79     8.06      -2.91      -0.02     0.76     16
 Total:          0.00   -93.17   351.04                 -5.44   -98.61