REAL300018376506.mol2 43                                                        
   1       O    -0.70    -9.97    16.46      19.04       0.31    -9.65     16
   2       C     0.49     4.33     5.99      71.23       0.43     4.76     16
   3       O    -0.69   -15.45    16.48      19.01       0.31   -15.13     16
   4       C     0.03    -0.41     1.90      43.42       0.08    -0.33     16
   5       N    -0.47    13.30     0.99    -503.38      -0.50    12.80     16
   6       H     0.44   -12.01     6.51     -89.69      -0.58   -12.59     16
   7       H     0.45   -17.61     8.31     -89.70      -0.75   -18.35     16
   8       C     0.05    -1.46     5.21      85.56       0.45    -1.01     16
   9       C    -0.10     3.01     5.36     -19.80      -0.11     2.91     16
  10       C    -0.02     0.54     9.68      22.24       0.22     0.75     16
  11       C    -0.11     1.42     9.75      22.48       0.22     1.64     16
  12       C     0.33    -2.09     9.80      22.82       0.22    -1.87     16
  13       O    -0.75   -13.74    17.25    -127.47      -2.20   -15.94     16
  14       O    -0.74   -12.02    17.25    -127.47      -2.20   -14.22     16
  15       C    -0.11     1.84     9.75      22.48       0.22     2.05     16
  16       C    -0.01     0.18     9.68      22.24       0.22     0.39     16
  17       C    -0.10     0.65     5.00     -19.80      -0.10     0.55     16
  18       C    -0.11     1.30     9.01      22.05       0.20     1.50     16
  19       C    -0.12     0.99     9.95      22.04       0.22     1.21     16
  20       C    -0.11     0.40     9.77      22.33       0.22     0.62     16
  21       C    -0.07    -0.08     5.74     -21.30      -0.12    -0.20     16
  22       C    -0.12    -0.09     9.77      22.33       0.22     0.13     16
  23       C    -0.12    -0.17     9.95      22.04       0.22     0.04     16
  24       C    -0.13    -0.42     9.95      22.04       0.22    -0.20     16
  25       C    -0.11    -0.43     8.85      22.33       0.20    -0.23     16
  26       C    -0.06    -0.08     5.74     -21.30      -0.12    -0.20     16
  27       H     0.17    -2.80     6.94      -2.39      -0.02    -2.82     16
  28       H     0.19    -7.01     8.05      -2.39      -0.02    -7.03     16
  29       H     0.13    -2.70     6.67      -2.39      -0.02    -2.72     16
  30       H     0.20    -4.70     8.06      -2.91      -0.02    -4.72     16
  31       H     0.17    -1.34     7.77      -2.91      -0.02    -1.36     16
  32       H     0.33     5.16     8.90     -74.06      -0.66     4.50     16
  33       H     0.34     4.67     8.90     -74.05      -0.66     4.01     16
  34       H     0.18    -2.72     7.77      -2.91      -0.02    -2.74     16
  35       H     0.24    -9.48     8.06      -2.90      -0.02    -9.50     16
  36       H     0.16    -3.63     6.27      -2.91      -0.02    -3.64     16
  37       H     0.16    -2.08     8.06      -2.91      -0.02    -2.11     16
  38       H     0.14    -1.05     8.06      -2.91      -0.02    -1.07     16
  39       H     0.15    -0.56     8.06      -2.91      -0.02    -0.59     16
  40       H     0.14    -0.38     8.06      -2.91      -0.02    -0.41     16
  41       H     0.13     0.07     8.06      -2.91      -0.02     0.04     16
  42       H     0.14     0.49     5.48      -2.91      -0.02     0.48     16
 Total:          0.00   -86.13   357.28                 -4.12   -90.26