REAL300018050737.mol2 33                                                        
   1       O    -0.72   -51.96    17.24      17.82       0.31   -51.66     16
   2       C     0.50    33.83     8.01      70.28       0.56    34.39     16
   3       O    -0.72   -52.06    17.24      17.80       0.31   -51.75     16
   4       C    -0.13    -6.78     5.87     -20.12      -0.12    -6.90     16
   5       C    -0.07    -3.05     9.30      22.58       0.21    -2.84     16
   6       C    -0.08    -2.76     6.19      22.23       0.14    -2.62     16
   7       I     0.00    -0.01    40.25     -18.82      -0.76    -0.76     16
   8       C    -0.11    -3.04     9.01      22.47       0.20    -2.83     16
   9       C     0.20     6.40     6.65      38.17       0.25     6.65     16
  10       N    -0.60   -14.07     4.93    -343.23      -1.69   -15.76     16
  11       C     0.15     2.46     4.07      85.63       0.35     2.81     16
  12       C    -0.11    -1.47     5.28     -19.65      -0.10    -1.57     16
  13       C    -0.04     0.01     9.66      22.24       0.21     0.22     16
  14       C    -0.08     0.33    10.04      22.33       0.22     0.55     16
  15       C    -0.04    -0.07    10.03      22.24       0.22     0.16     16
  16       C    -0.13    -2.19     9.75      22.49       0.22    -1.97     16
  17       C     0.31     7.69     9.76      22.83       0.22     7.91     16
  18       O    -0.75   -33.59    13.34    -127.47      -1.70   -35.29     16
  19       O    -0.95   -53.67    17.25    -127.47      -2.20   -55.87     16
  20       C    -0.11    -4.51     9.44      22.70       0.21    -4.30     16
  21       H     0.12     5.66     7.64      -2.91      -0.02     5.64     16
  22       H     0.17     3.47     6.71      -2.91      -0.02     3.45     16
  23       H     0.41     9.54     8.47     -92.71      -0.79     8.76     16
  24       H     0.11     2.63     5.60      -2.38      -0.01     2.61     16
  25       H     0.16     0.88     7.80      -2.39      -0.02     0.87     16
  26       H     0.22    -1.89     8.03      -2.91      -0.02    -1.91     16
  27       H     0.21    -2.82     8.06      -2.91      -0.02    -2.84     16
  28       H     0.21    -1.27     8.06      -2.91      -0.02    -1.30     16
  29       H     0.15     3.34     7.77      -2.91      -0.02     3.32     16
  30       H     0.30    14.77     8.90     -74.06      -0.66    14.11     16
  31       H     0.28    15.88     8.90     -74.05      -0.66    15.22     16
  32       H     0.13     5.62     7.65      -2.91      -0.02     5.60     16
 Total:         -1.00  -122.68   316.92                 -5.22  -127.89