REAL300034160001.mol2 41                                                        
   1       O    -0.55   -12.49    16.03      -3.79      -0.06   -12.55     16
   2       C     0.57     9.55     7.78      86.86       0.68    10.22     16
   3       N    -0.70    -9.68     5.17    -445.27      -2.30   -11.98     16
   4       C     0.13     1.69     4.14      44.97       0.19     1.88     16
   5       H     0.16     1.68     7.43      -2.39      -0.02     1.66     16
   6       C    -0.10    -0.86     6.35     -11.04      -0.07    -0.93     16
   7       H     0.17     0.14     8.14      -2.39      -0.02     0.12     16
   8       C    -0.14    -1.85     7.49      29.29       0.22    -1.63     16
   9       C     0.06     1.47     6.17      41.89       0.26     1.72     16
  10       H     0.09     2.72     8.14      -2.39      -0.02     2.70     16
  11       N    -0.61   -18.49     3.25    -792.64      -2.58   -21.07     16
  12       C     0.62    29.03     7.95      86.69       0.69    29.72     16
  13       O    -0.56   -32.84    16.26      13.48       0.22   -32.62     16
  14       C    -0.08    -3.83     6.66      41.98       0.28    -3.55     16
  15       N    -0.45   -17.08     9.11     -77.91      -0.71   -17.79     16
  16       S     0.51    19.17    24.20     -56.49      -1.37    17.80     16
  17       N    -0.65   -35.57    12.18    -177.21      -2.16   -37.73     16
  18       C     0.35    21.85     8.19      85.12       0.70    22.55     16
  19       O    -0.74   -55.66    17.64     -73.75      -1.30   -56.96     16
  20       C     0.11     2.11     5.11      87.17       0.45     2.55     16
  21       C    -0.11    -1.48     5.88     -20.04      -0.12    -1.60     16
  22       C    -0.03    -0.26     9.53      22.52       0.21    -0.05     16
  23       C    -0.11    -1.41    10.08      22.41       0.23    -1.18     16
  24       C     0.28     5.78    10.27      22.76       0.23     6.02     16
  25       C    -0.07    -1.21     6.30     -19.71      -0.12    -1.33     16
  26       C    -0.02    -0.28     9.58      22.50       0.22    -0.06     16
  27       C     0.08     1.61     7.74      71.19       0.55     2.16     16
  28       O    -0.51   -16.80    15.05    -128.57      -1.94   -18.74     16
  29       O    -0.66   -23.97    18.54    -128.57      -2.38   -26.35     16
  30       H     0.41     4.29     5.55     -92.71      -0.51     3.78     16
  31       H     0.14     0.93     7.92      -2.38      -0.02     0.91     16
  32       H     0.07     1.19     8.09      -2.39      -0.02     1.18     16
  33       H     0.09     1.70     7.94      -2.39      -0.02     1.68     16
  34       H     0.09     1.41     7.24      -2.39      -0.02     1.40     16
  35       H     0.20     0.77     6.39      -2.91      -0.02     0.75     16
  36       H     0.20     1.91     8.06      -2.91      -0.02     1.89     16
  37       H     0.20     2.04     7.64      -2.91      -0.02     2.01     16
  38       H     0.09     1.56     8.14      -2.39      -0.02     1.54     16
  39       H     0.10     1.60     8.14      -2.39      -0.02     1.58     16
  40       H     0.35    11.03     9.30     -74.06      -0.69    10.34     16
 Total:         -1.00  -108.52   364.76                -11.44  -119.95