REAL300031698134.mol2 43                                                        
   1       O    -0.56   -31.72    15.16      13.32       0.20   -31.51     16
   2       C     0.60    27.71     7.64      86.69       0.66    28.37     16
   3       C    -0.08    -3.72     6.43      41.98       0.27    -3.45     16
   4       N    -0.45   -17.42     5.71     -77.89      -0.44   -17.86     16
   5       S     0.48    19.30    24.20     -56.49      -1.37    17.93     16
   6       N    -0.64   -35.58    12.18    -177.25      -2.16   -37.74     16
   7       C     0.36    22.01     8.18      85.12       0.70    22.71     16
   8       O    -0.73   -54.96    17.65     -73.82      -1.30   -56.26     16
   9       N    -0.59   -18.18     2.47    -836.00      -2.06   -20.25     16
  10       C     0.11     2.72     5.73      84.23       0.48     3.20     16
  11       C    -0.15    -3.12     5.62      29.04       0.16    -2.96     16
  12       C     0.12     1.91     5.29      87.21       0.46     2.37     16
  13       N    -0.59   -12.19     2.50    -822.20      -2.06   -14.25     16
  14       C     0.56    13.88     7.06      86.79       0.61    14.50     16
  15       O    -0.55   -16.21    16.24      -3.87      -0.06   -16.27     16
  16       C    -0.10    -2.26     5.14     -20.09      -0.10    -2.37     16
  17       C    -0.05    -0.88     9.60      22.59       0.22    -0.66     16
  18       C    -0.08    -1.15    10.02      22.21       0.22    -0.93     16
  19       C    -0.05    -0.96     6.31     -19.60      -0.12    -1.09     16
  20       C     0.25     6.27    10.26      22.74       0.23     6.50     16
  21       C    -0.09    -1.84     7.50      22.69       0.17    -1.67     16
  22       O    -0.63   -22.31    18.54    -128.57      -2.38   -24.69     16
  23       O    -0.50   -17.07    15.05    -128.57      -1.93   -19.01     16
  24       C     0.08     1.76     7.74      71.20       0.55     2.31     16
  25       C     0.08     1.53     4.66      86.40       0.40     1.93     16
  26       C     0.10     2.13     4.72      87.39       0.41     2.54     16
  27       H     0.12     1.71     8.06      -2.39      -0.02     1.69     16
  28       H     0.06     1.95     7.08      -2.39      -0.02     1.94     16
  29       H     0.11     1.70     8.14      -2.39      -0.02     1.69     16
  30       H     0.03     0.86     7.75      -2.39      -0.02     0.84     16
  31       H     0.12     1.02     7.58      -2.38      -0.02     1.01     16
  32       H     0.09     1.45     7.50      -2.38      -0.02     1.43     16
  33       H     0.17     3.02     8.00      -2.91      -0.02     3.00     16
  34       H     0.22     1.45     8.06      -2.91      -0.02     1.43     16
  35       H     0.19     3.34     5.61      -2.91      -0.02     3.32     16
  36       H     0.35    10.69     9.30     -74.06      -0.69    10.00     16
  37       H     0.10     1.75     8.14      -2.38      -0.02     1.73     16
  38       H     0.09     1.83     8.14      -2.39      -0.02     1.81     16
  39       H     0.12     1.48     7.26      -2.39      -0.02     1.47     16
  40       H     0.08     2.01     3.55      -2.39      -0.01     2.00     16
  41       H     0.10     2.66     5.41      -2.39      -0.01     2.65     16
  42       H     0.12     1.56     7.73      -2.39      -0.02     1.54     16
 Total:         -1.00  -101.87   358.95                 -9.20  -111.07