REAL300009850880.mol2 35                                                        
   1       O    -0.71   -40.00    16.91      19.03       0.32   -39.68     16
   2       C     0.51    26.09     6.61      71.24       0.47    26.57     16
   3       O    -0.71   -41.63    17.76      19.05       0.34   -41.29     16
   4       C    -0.16    -5.95     0.59     -53.95      -0.03    -5.98     16
   5       C     0.56    18.71     3.81      87.65       0.33    19.04     16
   6       O    -0.54   -20.86    13.29      -3.04      -0.04   -20.90     16
   7       N    -0.68   -15.54     4.60    -442.54      -2.04   -17.57     16
   8       C     0.08     1.48     6.19      44.99       0.28     1.76     16
   9       H     0.16     4.24     7.38      -2.39      -0.02     4.23     16
  10       C    -0.13    -1.42    10.34      30.59       0.32    -1.11     16
  11       C     0.32     4.72     9.85      30.59       0.30     5.02     16
  12       H     0.25     0.92     8.14      -2.39      -0.02     0.90     16
  13       O    -0.77   -28.70    17.78    -127.47      -2.27   -30.97     16
  14       O    -0.76   -27.98    17.47    -127.47      -2.23   -30.21     16
  15       C    -0.07    -2.64     4.18      30.45       0.13    -2.52     16
  16       C    -0.61   -17.81     5.97      71.97       0.43   -17.38     16
  17       S     2.42    66.17     5.31     -56.49      -0.30    65.87     16
  18       O    -0.96   -31.48    17.94    -127.39      -2.29   -33.76     16
  19       O    -0.97   -31.58    18.10    -127.39      -2.31   -33.88     16
  20       C    -0.60   -12.20     6.05      71.99       0.44   -11.77     16
  21       C    -0.09    -2.43     4.10      30.47       0.12    -2.30     16
  22       H     0.43     6.85     7.60     -92.71      -0.70     6.15     16
  23       H     0.17     2.07     8.14      -2.39      -0.02     2.05     16
  24       H     0.21     0.72     8.14      -2.38      -0.02     0.70     16
  25       H     0.33    11.18     8.90     -74.06      -0.66    10.52     16
  26       H     0.33    11.18     8.90     -74.06      -0.66    10.53     16
  27       H     0.07     2.75     8.09      -2.38      -0.02     2.73     16
  28       H     0.10     3.43     8.01      -2.39      -0.02     3.41     16
  29       H     0.16     3.76     8.14      -2.39      -0.02     3.74     16
  30       H     0.15     4.58     5.20      -2.39      -0.01     4.57     16
  31       H     0.19     2.28     8.14      -2.39      -0.02     2.26     16
  32       H     0.14     2.52     6.26      -2.39      -0.01     2.51     16
  33       H     0.10     2.94     8.01      -2.38      -0.02     2.92     16
  34       H     0.11     2.46     7.24      -2.39      -0.02     2.45     16
 Total:         -1.00  -101.16   303.17                -10.25  -111.42