REAL300018579104.mol2 44                                                        
   1       O    -0.73   -40.26    17.25      17.79       0.31   -39.95     16
   2       C     0.48    23.38     8.01      70.27       0.56    23.94     16
   3       O    -0.74   -41.84    17.25      17.81       0.31   -41.53     16
   4       C    -0.18    -4.74     5.87     -20.11      -0.12    -4.86     16
   5       C    -0.09    -1.09     9.60      22.55       0.22    -0.88     16
   6       C    -0.10     1.08     9.25      22.23       0.21     1.28     16
   7       C    -0.04     0.75     5.32     -19.79      -0.11     0.64     16
   8       C    -0.12     4.07     2.04     -52.90      -0.11     3.96     16
   9       C     0.05    -2.55     5.21      86.30       0.45    -2.10     16
  10       N    -0.51    29.91     1.75    -517.96      -0.91    29.00     16
  11       H     0.43   -23.97     8.52     -89.69      -0.76   -24.74     16
  12       H     0.44   -28.40     8.26     -89.69      -0.74   -29.14     16
  13       C     0.06    -3.40     5.49      85.56       0.47    -2.93     16
  14       C    -0.11     5.09     5.36     -19.80      -0.11     4.98     16
  15       C    -0.03     0.92     9.68      22.24       0.22     1.14     16
  16       C    -0.13     2.59     9.75      22.48       0.22     2.81     16
  17       C     0.33    -3.88     9.80      22.82       0.22    -3.66     16
  18       O    -0.74   -10.52    17.25    -127.47      -2.20   -12.72     16
  19       O    -0.76   -12.92    17.25    -127.47      -2.20   -15.11     16
  20       C    -0.12     2.94     9.75      22.49       0.22     3.16     16
  21       C    -0.01     0.31     9.68      22.24       0.22     0.53     16
  22       C    -0.17     5.63     9.24      30.59       0.28     5.91     16
  23       C    -0.15     4.39     9.89      30.62       0.30     4.69     16
  24       C    -0.12     0.49     9.37      22.23       0.21     0.70     16
  25       C    -0.10    -1.66     9.60      22.55       0.22    -1.44     16
  26       H     0.10     1.72     7.65      -2.91      -0.02     1.70     16
  27       H     0.19    -4.53     6.75      -2.91      -0.02    -4.55     16
  28       H     0.19   -11.59     7.95      -2.39      -0.02   -11.61     16
  29       H     0.15    -8.24     6.42      -2.38      -0.02    -8.26     16
  30       H     0.20   -13.57     8.08      -2.39      -0.02   -13.58     16
  31       H     0.17   -10.75     8.05      -2.39      -0.02   -10.77     16
  32       H     0.21    -9.05     8.06      -2.91      -0.02    -9.07     16
  33       H     0.16    -1.97     7.77      -2.91      -0.02    -1.99     16
  34       H     0.33     4.19     8.90     -74.06      -0.66     3.53     16
  35       H     0.33     4.93     8.90     -74.05      -0.66     4.27     16
  36       H     0.17    -3.51     7.77      -2.91      -0.02    -3.53     16
  37       H     0.24   -13.10     8.06      -2.91      -0.02   -13.12     16
  38       H     0.16    -7.15     8.01      -2.39      -0.02    -7.17     16
  39       H     0.08    -2.17     6.11      -2.39      -0.01    -2.18     16
  40       H     0.14    -5.15     8.08      -2.39      -0.02    -5.17     16
  41       H     0.06    -1.19     8.14      -2.39      -0.02    -1.21     16
  42       H     0.15    -1.71     5.95      -2.91      -0.02    -1.73     16
  43       H     0.09     2.06     7.65      -2.91      -0.02     2.04     16
 Total:          0.00  -174.48   368.72                 -4.26  -178.74