REAL300018479429.mol2 41                                                        
   1       O    -0.70   -23.04    18.00      19.07       0.34   -22.70     16
   2       C     0.49     9.34     6.41      71.24       0.46     9.80     16
   3       O    -0.69   -13.65    15.82      19.04       0.30   -13.34     16
   4       C     0.07     0.21     2.80      43.42       0.12     0.34     16
   5       N    -0.46     5.57     1.14    -503.37      -0.57     4.99     16
   6       H     0.43    -6.62     8.41     -89.69      -0.75    -7.37     16
   7       H     0.44    -7.28     7.21     -89.70      -0.65    -7.93     16
   8       C     0.04    -0.49     4.92      85.56       0.42    -0.07     16
   9       C    -0.12     2.25     5.36     -19.65      -0.11     2.15     16
  10       C    -0.04     0.88     9.66      22.24       0.21     1.10     16
  11       C    -0.09     2.23    10.04      22.33       0.22     2.46     16
  12       C    -0.04     1.02    10.03      22.24       0.22     1.24     16
  13       C    -0.11     2.27     9.91      22.49       0.22     2.49     16
  14       C     0.22    -3.29     8.79      22.83       0.20    -3.09     16
  15       O    -0.61    -2.99    17.89    -127.47      -2.28    -5.27     16
  16       O    -0.64    -4.61    16.97    -127.47      -2.16    -6.77     16
  17       C    -0.22    -1.09     5.35     -18.63      -0.10    -1.19     16
  18       C     0.08    -0.30    10.99      83.00       0.91     0.61     16
  19       N    -0.57     0.95     6.07    -187.61      -1.14    -0.19     16
  20       C     0.08     0.55     7.28      39.03       0.28     0.83     16
  21       C    -0.13    -0.67    10.08      22.37       0.23    -0.44     16
  22       C    -0.10    -0.65    10.01      22.29       0.22    -0.43     16
  23       C    -0.15    -1.58     9.97      22.03       0.22    -1.36     16
  24       C    -0.09    -1.31    10.05      22.23       0.22    -1.09     16
  25       C    -0.11    -1.34     6.35     -20.20      -0.13    -1.47     16
  26       H     0.13     0.49     8.10      -2.39      -0.02     0.47     16
  27       H     0.15    -1.30     6.15      -2.39      -0.01    -1.31     16
  28       H     0.14    -1.67     5.06      -2.38      -0.01    -1.69     16
  29       H     0.18    -4.05     7.99      -2.91      -0.02    -4.08     16
  30       H     0.19    -5.48     8.06      -2.91      -0.02    -5.51     16
  31       H     0.20    -6.10     8.06      -2.91      -0.02    -6.12     16
  32       H     0.18    -3.99     8.06      -2.91      -0.02    -4.02     16
  33       H     0.34    -2.14     8.86     -74.05      -0.66    -2.80     16
  34       H     0.32    -0.50     6.72     -74.05      -0.50    -1.00     16
  35       H     0.22    -3.62     7.47      -2.91      -0.02    -3.65     16
  36       H     0.44    -3.85     8.96     -92.71      -0.83    -4.68     16
  37       H     0.15    -0.18     8.06      -2.91      -0.02    -0.21     16
  38       H     0.15     0.09     8.06      -2.91      -0.02     0.06     16
  39       H     0.13     0.92     8.06      -2.91      -0.02     0.89     16
  40       H     0.11     1.83     8.06      -2.91      -0.02     1.81     16
 Total:          0.00   -73.21   345.23                 -5.31   -78.53