REAL300009850760.mol2 39                                                        
   1       O    -0.69   -49.17    17.77      17.27       0.31   -48.86     16
   2       C     0.55    37.00     8.03      69.98       0.56    37.56     16
   3       O    -0.71   -51.60    18.01      20.26       0.36   -51.23     16
   4       C    -0.09    -4.74     7.17      24.37       0.17    -4.56     16
   5       C    -0.17    -7.60    10.64      22.56       0.24    -7.36     16
   6       C    -0.16    -5.53    10.88      22.60       0.25    -5.29     16
   7       C    -0.03    -1.15     7.02      24.38       0.17    -0.98     16
   8       C     0.02     0.68     9.64      23.70       0.23     0.91     16
   9       C    -0.21    -6.08     8.99      23.72       0.21    -5.87     16
  10       C     0.55    15.62     7.62      86.40       0.66    16.27     16
  11       O    -0.58   -21.00    15.67      -4.32      -0.07   -21.06     16
  12       N    -0.60   -11.39     2.97    -823.01      -2.44   -13.83     16
  13       C     0.08     0.95     6.34      86.51       0.55     1.50     16
  14       C    -0.13    -0.54     6.10      30.82       0.19    -0.36     16
  15       C    -0.09     0.32     5.16      30.62       0.16     0.48     16
  16       C    -0.16    -0.82     2.05     -10.72      -0.02    -0.85     16
  17       C     0.40     0.50     9.01      71.98       0.65     1.15     16
  18       O    -0.73   -23.80    14.58    -127.47      -1.86   -25.66     16
  19       O    -0.81   -25.83    17.78    -127.47      -2.27   -28.09     16
  20       C     0.10     1.47     5.54      86.36       0.48     1.94     16
  21       O    -0.16    -7.76    10.28      -3.73      -0.04    -7.80     16
  22       H     0.16     6.81     8.06      -2.91      -0.02     6.79     16
  23       H     0.20     4.90     8.06      -2.91      -0.02     4.88     16
  24       H     0.17     4.68     7.54      -2.91      -0.02     4.65     16
  25       H     0.14     3.93     5.62      -2.91      -0.02     3.92     16
  26       H     0.10     0.68     8.14      -2.39      -0.02     0.66     16
  27       H     0.08     1.28     5.37      -2.39      -0.01     1.27     16
  28       H     0.06     0.51     8.14      -2.39      -0.02     0.49     16
  29       H     0.12     0.04     8.14      -2.39      -0.02     0.02     16
  30       H     0.12    -1.21     8.14      -2.38      -0.02    -1.23     16
  31       H     0.12    -1.14     8.14      -2.39      -0.02    -1.16     16
  32       H     0.10     1.22     8.03      -2.39      -0.02     1.21     16
  33       H     0.19    -1.61     8.14      -2.39      -0.02    -1.63     16
  34       H     0.20    -1.78     8.14      -2.39      -0.02    -1.80     16
  35       H     0.32    10.49     8.90     -74.06      -0.66     9.83     16
  36       H     0.32    10.01     8.90     -74.06      -0.66     9.36     16
  37       H     0.08     2.26     4.79      -2.38      -0.01     2.25     16
  38       H     0.10     0.83     8.14      -2.39      -0.02     0.81     16
 Total:         -1.00  -118.57   331.66                 -3.11  -121.68