REAL300034085220.mol2 43                                                        
   1       C    -0.19     1.02     7.79      71.98       0.56     1.58     16
   2       C     0.10     0.09     2.70      45.34       0.12     0.21     16
   3       C    -0.12    -0.45     6.11      31.78       0.19    -0.26     16
   4       C     0.13     2.58     3.44      46.46       0.16     2.73     16
   5       N    -0.69   -19.14     5.19    -438.78      -2.28   -21.41     16
   6       C     0.61    27.04     7.81      86.69       0.68    27.72     16
   7       O    -0.55   -30.27    15.36      13.49       0.21   -30.06     16
   8       C    -0.09    -4.27     6.69      41.98       0.28    -3.99     16
   9       N    -0.47   -18.43    10.83     -77.92      -0.84   -19.28     16
  10       S     0.52    20.14    24.20     -56.49      -1.37    18.78     16
  11       N    -0.65   -35.98    12.18    -177.23      -2.16   -38.14     16
  12       C     0.35    21.95     8.19      85.12       0.70    22.65     16
  13       O    -0.73   -55.10    17.64     -73.63      -1.30   -56.39     16
  14       C     0.09     2.17     6.60      86.93       0.57     2.74     16
  15       N    -0.59    -8.84     3.06    -803.92      -2.46   -11.30     16
  16       C     0.56    11.89     7.57      86.79       0.66    12.55     16
  17       O    -0.58   -20.10    16.63      -3.89      -0.06   -20.17     16
  18       C    -0.08    -0.89     5.32     -20.09      -0.11    -1.00     16
  19       C    -0.08     0.33     6.47      22.59       0.15     0.48     16
  20       C    -0.01     0.14    10.02      22.21       0.22     0.36     16
  21       C    -0.07     0.00     6.31     -19.60      -0.12    -0.12     16
  22       C     0.27     5.15    10.26      22.74       0.23     5.38     16
  23       C    -0.09    -1.89     9.64      22.69       0.22    -1.67     16
  24       O    -1.02   -59.02    18.54    -128.57      -2.38   -61.40     16
  25       O    -0.41   -10.00    15.05    -128.57      -1.93   -11.94     16
  26       C     0.08    -0.10     7.74      71.20       0.55     0.45     16
  27       H     0.07    -0.12     7.70      -2.39      -0.02    -0.14     16
  28       H     0.14    -2.08     8.11      -2.38      -0.02    -2.10     16
  29       H     0.07    -0.24     4.78      -2.39      -0.01    -0.25     16
  30       H     0.14    -1.03     6.12      -2.39      -0.01    -1.05     16
  31       H     0.13    -0.20     8.14      -2.39      -0.02    -0.22     16
  32       H     0.11     0.13     7.44      -2.39      -0.02     0.11     16
  33       H     0.09     2.26     7.54      -2.39      -0.02     2.24     16
  34       H     0.42     9.21     8.06     -92.71      -0.75     8.47     16
  35       H     0.08     1.82     8.14      -2.39      -0.02     1.80     16
  36       H     0.04     1.45     8.07      -2.39      -0.02     1.43     16
  37       H     0.24    -2.47     2.01      -8.10      -0.02    -2.49     16
  38       H     0.27    -6.94     8.06      -2.91      -0.02    -6.97     16
  39       H     0.14     4.18     7.66      -2.91      -0.02     4.15     16
  40       H     0.28    15.42     9.30     -74.05      -0.69    14.73     16
  41       H     0.25    -3.15     8.14      -2.39      -0.02    -3.16     16
  42       H     0.25    -2.98     8.14      -2.39      -0.02    -3.00     16
 Total:         -1.00  -156.75   368.77                -11.22  -167.97