REAL300018065547.mol2 41                                                        
   1       C     0.01     0.00     9.81     113.37       1.11     1.11     16
   2       O    -0.33    -6.88     8.56     -68.24      -0.58    -7.46     16
   3       C     0.14     2.19     6.70      22.89       0.15     2.34     16
   4       C    -0.18     1.45     8.67      22.34       0.19     1.64     16
   5       C    -0.08     1.26     5.36     -19.82      -0.11     1.16     16
   6       C     0.07    -2.61     5.49      85.56       0.47    -2.14     16
   7       N    -0.50    20.34     1.59    -522.00      -0.83    19.51     16
   8       H     0.44   -21.16     8.66     -89.69      -0.78   -21.93     16
   9       H     0.43   -14.48     7.03     -89.69      -0.63   -15.11     16
  10       C     0.05    -2.16     4.64      85.56       0.40    -1.76     16
  11       C    -0.12     4.40     5.38     -19.65      -0.11     4.29     16
  12       C    -0.02     0.98     9.66      22.24       0.21     1.19     16
  13       C    -0.09     3.48    10.04      22.33       0.22     3.70     16
  14       C    -0.04     1.28    10.03      22.24       0.22     1.50     16
  15       C    -0.14     3.02     9.75      22.48       0.22     3.24     16
  16       C     0.32    -7.36     9.76      22.83       0.22    -7.14     16
  17       O    -0.70    10.28    12.36    -127.47      -1.57     8.70     16
  18       O    -0.77    -4.27    17.25    -127.47      -2.20    -6.46     16
  19       C    -0.13     0.36     9.67      22.23       0.21     0.58     16
  20       C    -0.07    -1.24     9.59      22.55       0.22    -1.03     16
  21       C    -0.21    -6.37     5.88     -20.03      -0.12    -6.49     16
  22       C     0.49    25.12     8.00      70.17       0.56    25.68     16
  23       O    -0.75   -44.17    17.24      17.66       0.30   -43.87     16
  24       O    -0.71   -41.56    16.06      24.29       0.39   -41.17     16
  25       H     0.09     0.19     8.14      -2.39      -0.02     0.17     16
  26       H     0.09    -0.92     7.66      -2.38      -0.02    -0.94     16
  27       H     0.08    -0.57     7.66      -2.39      -0.02    -0.59     16
  28       H     0.20    -4.40     6.30      -2.91      -0.02    -4.42     16
  29       H     0.15    -5.21     8.08      -2.39      -0.02    -5.23     16
  30       H     0.19    -8.70     8.08      -2.39      -0.02    -8.72     16
  31       H     0.15    -5.22     5.78      -2.39      -0.01    -5.24     16
  32       H     0.21   -11.44     8.00      -2.39      -0.02   -11.46     16
  33       H     0.24   -12.65     8.03      -2.91      -0.02   -12.68     16
  34       H     0.20    -8.43     8.06      -2.91      -0.02    -8.46     16
  35       H     0.19    -6.23     8.06      -2.91      -0.02    -6.26     16
  36       H     0.16    -2.42     7.77      -2.91      -0.02    -2.44     16
  37       H     0.35    -3.92     8.90     -74.06      -0.66    -4.58     16
  38       H     0.33     1.33     8.90     -74.06      -0.66     0.67     16
  39       H     0.16    -1.65     8.06      -2.91      -0.02    -1.68     16
  40       H     0.10     2.48     7.65      -2.91      -0.02     2.46     16
 Total:          0.00  -145.90   342.32                 -3.41  -149.31