REAL300018078869.mol2 43                                                        
   1       C    -0.12     0.70     9.60      71.23       0.68     1.39     16
   2       C    -0.09     0.27     5.88     -19.87      -0.12     0.16     16
   3       C    -0.12     0.62     9.70      22.27       0.22     0.84     16
   4       C    -0.12     0.94     9.30      22.27       0.21     1.15     16
   5       C    -0.12     0.87     4.83     -19.86      -0.10     0.77     16
   6       C     0.04    -0.50     2.52      43.42       0.11    -0.39     16
   7       N    -0.47    12.98     1.28    -503.39      -0.64    12.33     16
   8       H     0.43   -11.35     6.48     -89.69      -0.58   -11.94     16
   9       H     0.45   -17.22     8.59     -89.70      -0.77   -17.99     16
  10       C     0.05    -1.45     5.21      85.56       0.45    -1.00     16
  11       C    -0.10     2.94     5.36     -19.80      -0.11     2.83     16
  12       C    -0.03     0.55     9.68      22.24       0.22     0.76     16
  13       C    -0.12     1.34     9.75      22.48       0.22     1.56     16
  14       C     0.33    -1.88     9.80      22.82       0.22    -1.66     16
  15       O    -0.75   -14.08    17.25    -127.47      -2.20   -16.28     16
  16       O    -0.74   -12.28    17.25    -127.47      -2.20   -14.48     16
  17       C    -0.11     1.77     9.75      22.48       0.22     1.99     16
  18       C    -0.01     0.18     9.68      22.24       0.22     0.39     16
  19       C     0.48     4.81     6.08      71.23       0.43     5.25     16
  20       O    -0.70   -10.37    16.46      19.04       0.31   -10.06     16
  21       O    -0.71   -17.67    18.00      19.01       0.34   -17.33     16
  22       C    -0.10     0.41     9.33      22.27       0.21     0.62     16
  23       C    -0.10     0.28     5.88     -19.87      -0.12     0.16     16
  24       C    -0.12     0.64     9.60      71.24       0.68     1.32     16
  25       H     0.07    -0.31     8.14      -2.39      -0.02    -0.33     16
  26       H     0.08    -0.59     8.09      -2.38      -0.02    -0.60     16
  27       H     0.08    -0.59     5.95      -2.39      -0.01    -0.60     16
  28       H     0.14    -1.10     8.06      -2.91      -0.02    -1.12     16
  29       H     0.15    -1.98     6.75      -2.91      -0.02    -2.00     16
  30       H     0.17    -3.07     7.95      -2.39      -0.02    -3.08     16
  31       H     0.19    -6.97     8.05      -2.39      -0.02    -6.99     16
  32       H     0.13    -2.55     6.67      -2.39      -0.02    -2.57     16
  33       H     0.20    -4.51     8.06      -2.91      -0.02    -4.53     16
  34       H     0.17    -1.22     7.77      -2.91      -0.02    -1.25     16
  35       H     0.33     5.28     8.90     -74.06      -0.66     4.62     16
  36       H     0.34     4.77     8.90     -74.05      -0.66     4.11     16
  37       H     0.18    -2.64     7.77      -2.91      -0.02    -2.66     16
  38       H     0.24    -9.40     8.06      -2.90      -0.02    -9.43     16
  39       H     0.14    -0.86     8.04      -2.91      -0.02    -0.88     16
  40       H     0.07    -0.23     8.14      -2.39      -0.02    -0.25     16
  41       H     0.08    -0.59     5.95      -2.39      -0.01    -0.61     16
  42       H     0.08    -0.58     8.09      -2.39      -0.02    -0.60     16
 Total:          0.00   -84.64   356.62                 -3.73   -88.37