REAL300032545847.mol2 39                                                        
   1       C    -0.16    -2.81     9.48      71.98       0.68    -2.13     16
   2       C     0.13     2.37     2.73      44.99       0.12     2.50     16
   3       H     0.08     1.85     7.58      -2.39      -0.02     1.83     16
   4       C     0.12     1.31     5.23      86.38       0.45     1.76     16
   5       N    -0.72    -7.15     5.34    -465.72      -2.49    -9.64     16
   6       C     0.57     5.41     7.78      86.86       0.68     6.09     16
   7       O    -0.54    -7.51    16.33      -3.78      -0.06    -7.58     16
   8       C    -0.12    -0.69     5.88     -20.04      -0.12    -0.80     16
   9       C    -0.01    -0.09     9.54      22.52       0.21     0.13     16
  10       C    -0.13    -1.82    10.08      22.41       0.23    -1.59     16
  11       C     0.30     5.55    10.27      22.76       0.23     5.78     16
  12       C    -0.11    -0.64     6.30     -19.71      -0.12    -0.77     16
  13       C     0.03     0.04     9.58      22.50       0.22     0.25     16
  14       C     0.08     0.31     7.74      71.19       0.55     0.86     16
  15       O    -0.40   -10.43    15.05    -128.57      -1.94   -12.37     16
  16       O    -1.00   -54.38    18.54    -128.57      -2.38   -56.76     16
  17       N    -0.70   -17.94     4.51    -445.74      -2.01   -19.95     16
  18       C     0.61    25.20     7.77      86.69       0.67    25.87     16
  19       O    -0.55   -27.90    15.38      13.49       0.21   -27.70     16
  20       C    -0.08    -3.85     6.69      41.98       0.28    -3.56     16
  21       N    -0.47   -17.91    10.83     -77.91      -0.84   -18.75     16
  22       S     0.50    19.50    24.20     -56.49      -1.37    18.14     16
  23       N    -0.65   -35.50    12.18    -177.23      -2.16   -37.66     16
  24       C     0.35    21.30     8.19      85.12       0.70    22.00     16
  25       O    -0.73   -53.35    17.64     -73.75      -1.30   -54.65     16
  26       H     0.03     0.90     8.14      -2.39      -0.02     0.88     16
  27       H     0.10     1.15     8.14      -2.39      -0.02     1.13     16
  28       H     0.07     1.11     8.14      -2.39      -0.02     1.09     16
  29       H     0.11     0.88     8.14      -2.39      -0.02     0.86     16
  30       H     0.09     0.87     8.14      -2.38      -0.02     0.85     16
  31       H     0.41     4.09     6.16     -92.71      -0.57     3.52     16
  32       H     0.19     0.93     6.39      -2.91      -0.02     0.91     16
  33       H     0.17     2.93     8.06      -2.91      -0.02     2.91     16
  34       H     0.22    -1.15     7.64      -2.91      -0.02    -1.17     16
  35       H     0.24    -1.42     8.14      -2.38      -0.02    -1.44     16
  36       H     0.24    -1.48     8.14      -2.39      -0.02    -1.50     16
  37       H     0.28    14.91     9.30     -74.06      -0.69    14.22     16
  38       H     0.41     8.90     8.09     -92.71      -0.75     8.15     16
 Total:         -1.00  -126.52   357.47                -11.79  -138.30