REAL300009850777.mol2 39                                                        
   1       O    -0.69   -49.85    17.77      17.28       0.31   -49.54     16
   2       C     0.54    37.49     8.03      69.98       0.56    38.05     16
   3       O    -0.71   -53.18    18.01      20.28       0.37   -52.82     16
   4       C    -0.09    -4.92     7.17      24.37       0.17    -4.75     16
   5       C    -0.17    -7.50    10.64      22.56       0.24    -7.26     16
   6       C    -0.16    -5.19    10.88      22.60       0.25    -4.94     16
   7       C    -0.03    -1.22     7.02      24.38       0.17    -1.05     16
   8       C     0.03     0.77     9.64      23.70       0.23     1.00     16
   9       C    -0.22    -5.79     8.99      23.71       0.21    -5.58     16
  10       C     0.56    12.60     7.62      86.40       0.66    13.26     16
  11       O    -0.57   -14.92    15.66      -4.31      -0.07   -14.99     16
  12       N    -0.61    -9.13     2.97    -822.98      -2.44   -11.57     16
  13       C     0.10     1.57     6.34      86.51       0.55     2.12     16
  14       C    -0.13    -1.59     5.38      30.82       0.17    -1.42     16
  15       C    -0.14    -0.48     1.95     -10.77      -0.02    -0.50     16
  16       C     0.40     0.70     8.82      71.98       0.63     1.34     16
  17       O    -0.80   -26.05    17.78    -127.47      -2.27   -28.31     16
  18       O    -0.75   -21.59    16.37    -127.47      -2.09   -23.68     16
  19       C    -0.10     0.20     5.36      30.67       0.16     0.37     16
  20       C     0.11     0.72     6.44      86.36       0.56     1.28     16
  21       O    -0.16    -8.00    10.28      -3.66      -0.04    -8.04     16
  22       H     0.16     6.72     8.06      -2.91      -0.02     6.70     16
  23       H     0.21     4.49     8.06      -2.91      -0.02     4.47     16
  24       H     0.18     3.96     7.53      -2.91      -0.02     3.94     16
  25       H     0.13     3.63     5.62      -2.91      -0.02     3.61     16
  26       H     0.08     1.22     8.14      -2.39      -0.02     1.21     16
  27       H     0.08     1.64     5.37      -2.38      -0.01     1.63     16
  28       H     0.08     0.88     8.14      -2.39      -0.02     0.86     16
  29       H     0.07     1.39     7.71      -2.39      -0.02     1.37     16
  30       H     0.12     0.76     7.73      -2.38      -0.02     0.75     16
  31       H     0.17    -0.71     8.14      -2.39      -0.02    -0.73     16
  32       H     0.20    -1.92     8.14      -2.39      -0.02    -1.94     16
  33       H     0.32    10.11     8.90     -74.05      -0.66     9.45     16
  34       H     0.33     9.41     8.90     -74.05      -0.66     8.75     16
  35       H     0.10    -0.29     8.14      -2.39      -0.02    -0.31     16
  36       H     0.14    -1.48     8.14      -2.39      -0.02    -1.50     16
  37       H     0.10     0.92     7.00      -2.38      -0.02     0.90     16
  38       H     0.09     0.41     8.14      -2.39      -0.02     0.40     16
 Total:         -1.00  -114.21   335.00                 -3.29  -117.50