REAL300020207966.mol2 37                                                        
   1       O    -0.57   -20.53    15.44       9.98       0.15   -20.38     16
   2       C     0.52    13.33     7.71      87.65       0.68    14.00     16
   3       C    -0.15    -2.48     5.39      29.84       0.16    -2.32     16
   4       C     0.12     2.44     3.12      29.79       0.09     2.53     16
   5       O    -0.46   -16.28    13.97    -122.16      -1.71   -17.99     16
   6       O    -0.77   -32.11    18.54    -128.56      -2.38   -34.49     16
   7       C     0.26     4.10    10.27      22.77       0.23     4.33     16
   8       C    -0.12    -0.53    10.09      22.43       0.23    -0.31     16
   9       C    -0.05     0.28    10.04      22.27       0.22     0.50     16
  10       C    -0.07     0.55    10.04      22.34       0.22     0.78     16
  11       C    -0.06     0.12    10.04      22.24       0.22     0.34     16
  12       C    -0.08    -0.80     5.56     -19.69      -0.11    -0.91     16
  13       N    -0.72   -16.65     5.55    -466.79      -2.59   -19.24     16
  14       C     0.21     5.62     6.25      85.63       0.53     6.15     16
  15       C     0.01     0.28     6.73      88.55       0.60     0.88     16
  16       N    -0.46   -19.26    10.55    -180.53      -1.90   -21.16     16
  17       C     0.14     6.62     6.72      40.97       0.28     6.90     16
  18       C     0.12     6.75     8.14     137.42       1.12     7.86     16
  19       N    -0.38   -22.76    12.37     -52.24      -0.65   -23.40     16
  20       N    -0.20   -13.03    13.46      37.02       0.50   -12.53     16
  21       N    -0.21   -13.64    13.45      37.02       0.50   -13.14     16
  22       N    -0.38   -23.83    12.46     -52.24      -0.65   -24.48     16
  23       C    -0.23    -8.04    11.12      67.02       0.75    -7.29     16
  24       S     0.24     6.12    23.16     -56.49      -1.31     4.81     16
  25       H     0.15     1.00     8.14      -2.39      -0.02     0.98     16
  26       H     0.11     1.66     8.14      -2.39      -0.02     1.64     16
  27       H     0.10     2.30     7.93      -2.39      -0.02     2.28     16
  28       H     0.33    13.06     9.30     -74.05      -0.69    12.38     16
  29       H     0.18     0.67     8.06      -2.91      -0.02     0.65     16
  30       H     0.22    -3.06     8.06      -2.91      -0.02    -3.09     16
  31       H     0.21    -3.25     8.06      -2.91      -0.02    -3.28     16
  32       H     0.20    -1.54     8.06      -2.92      -0.02    -1.56     16
  33       H     0.41     7.76     8.46     -92.71      -0.78     6.98     16
  34       H     0.10     2.53     8.14      -2.39      -0.02     2.51     16
  35       H     0.08     2.54     8.14      -2.39      -0.02     2.52     16
  36       H     0.19     6.40     8.06      -2.91      -0.02     6.38     16
 Total:         -1.00  -113.68   348.73                 -6.51  -120.18