REAL300018001633.mol2 43                                                        
   1       O    -0.71   -17.03    18.00      19.06       0.34   -16.69     16
   2       C     0.48     4.36     6.08      71.23       0.43     4.80     16
   3       O    -0.70    -9.75    16.46      19.05       0.31    -9.44     16
   4       C     0.04    -0.52     2.50      43.42       0.11    -0.41     16
   5       N    -0.47    13.39     1.27    -503.38      -0.64    12.75     16
   6       H     0.45   -17.61     8.59     -89.70      -0.77   -18.38     16
   7       H     0.43   -11.77     6.42     -89.69      -0.58   -12.34     16
   8       C     0.05    -1.48     5.21      85.56       0.45    -1.03     16
   9       C    -0.10     2.99     5.36     -19.80      -0.11     2.88     16
  10       C    -0.01     0.17     9.68      22.24       0.22     0.38     16
  11       C    -0.11     1.81     9.75      22.48       0.22     2.03     16
  12       C     0.33    -1.96     9.80      22.82       0.22    -1.73     16
  13       O    -0.75   -13.99    17.25    -127.47      -2.20   -16.19     16
  14       O    -0.74   -12.26    17.25    -127.47      -2.20   -14.45     16
  15       C    -0.12     1.38     9.75      22.49       0.22     1.60     16
  16       C    -0.03     0.55     9.68      22.24       0.22     0.77     16
  17       C    -0.11     0.90     4.80     -20.09      -0.10     0.80     16
  18       C    -0.08     0.33     9.36      22.33       0.21     0.54     16
  19       C    -0.07     0.05     5.74     -21.30      -0.12    -0.07     16
  20       C    -0.11     0.18     9.77      22.33       0.22     0.40     16
  21       C    -0.12     0.26     9.95      22.04       0.22     0.47     16
  22       C    -0.12     0.25     9.95      22.04       0.22     0.47     16
  23       C    -0.12     0.22     9.77      22.33       0.22     0.44     16
  24       C    -0.07     0.06     5.74     -21.30      -0.12    -0.06     16
  25       C    -0.10     0.53     9.77      22.33       0.22     0.74     16
  26       C    -0.12     1.05     9.20      22.05       0.20     1.26     16
  27       H     0.18    -3.36     7.90      -2.38      -0.02    -3.38     16
  28       H     0.13    -2.67     6.67      -2.38      -0.02    -2.68     16
  29       H     0.19    -7.15     8.05      -2.39      -0.02    -7.17     16
  30       H     0.24    -9.48     8.06      -2.91      -0.02    -9.51     16
  31       H     0.18    -2.66     7.77      -2.91      -0.02    -2.68     16
  32       H     0.33     5.26     8.90     -74.06      -0.66     4.60     16
  33       H     0.34     4.76     8.90     -74.06      -0.66     4.10     16
  34       H     0.17    -1.27     7.77      -2.91      -0.02    -1.29     16
  35       H     0.20    -4.63     8.06      -2.91      -0.02    -4.65     16
  36       H     0.15    -1.10     8.00      -2.91      -0.02    -1.13     16
  37       H     0.14    -0.79     8.06      -2.91      -0.02    -0.81     16
  38       H     0.14    -0.82     8.06      -2.91      -0.02    -0.84     16
  39       H     0.14    -0.83     8.06      -2.91      -0.02    -0.85     16
  40       H     0.14    -0.84     8.06      -2.91      -0.02    -0.87     16
  41       H     0.15    -1.33     8.06      -2.91      -0.02    -1.35     16
  42       H     0.15    -2.27     6.67      -2.91      -0.02    -2.29     16
 Total:          0.00   -87.03   364.13                 -4.21   -91.24