REAL300034168498.mol2 41                                                        
   1       O    -0.56   -16.90    16.05      -3.88      -0.06   -16.97     16
   2       C     0.56    11.51     7.77      86.79       0.67    12.19     16
   3       N    -0.69   -10.02     5.17    -445.49      -2.30   -12.33     16
   4       C     0.12     1.82     4.14      44.97       0.19     2.00     16
   5       H     0.15     2.07     7.43      -2.39      -0.02     2.06     16
   6       C    -0.09    -0.79     6.35     -11.04      -0.07    -0.86     16
   7       H     0.18     0.04     8.14      -2.39      -0.02     0.02     16
   8       C    -0.14    -1.99     7.49      29.29       0.22    -1.77     16
   9       C     0.06     1.51     6.17      41.89       0.26     1.77     16
  10       H     0.09     2.75     8.14      -2.39      -0.02     2.73     16
  11       N    -0.61   -18.10     3.25    -792.64      -2.58   -20.67     16
  12       C     0.62    28.36     7.95      86.69       0.69    29.05     16
  13       O    -0.57   -32.96    16.26      13.48       0.22   -32.74     16
  14       C    -0.08    -3.67     6.66      41.98       0.28    -3.39     16
  15       N    -0.45   -15.65     9.11     -77.91      -0.71   -16.36     16
  16       S     0.52    17.75    24.20     -56.49      -1.37    16.38     16
  17       N    -0.65   -33.76    12.18    -177.21      -2.16   -35.92     16
  18       C     0.35    21.06     8.19      85.12       0.70    21.76     16
  19       O    -0.74   -54.70    17.64     -73.75      -1.30   -56.00     16
  20       C     0.12     1.95     5.11      87.17       0.45     2.40     16
  21       C    -0.08    -1.25     5.87     -20.09      -0.12    -1.37     16
  22       C    -0.06    -0.21     9.54      22.59       0.22     0.01     16
  23       C    -0.02     0.03    10.02      22.21       0.22     0.26     16
  24       C    -0.08    -0.56     6.31     -19.60      -0.12    -0.69     16
  25       C     0.27     6.34    10.26      22.74       0.23     6.57     16
  26       C    -0.09    -2.06     9.64      22.70       0.22    -1.84     16
  27       O    -1.00   -59.34    18.54    -128.57      -2.38   -61.72     16
  28       O    -0.41   -11.55    15.05    -128.57      -1.93   -13.49     16
  29       C     0.08     0.37     7.74      71.20       0.55     0.93     16
  30       H     0.42     3.61     5.55     -92.71      -0.51     3.10     16
  31       H     0.13     1.13     7.92      -2.38      -0.02     1.11     16
  32       H     0.08     1.27     8.09      -2.39      -0.02     1.25     16
  33       H     0.09     1.58     7.94      -2.39      -0.02     1.57     16
  34       H     0.10     1.23     7.24      -2.39      -0.02     1.22     16
  35       H     0.20    -0.59     6.39      -2.91      -0.02    -0.61     16
  36       H     0.25    -3.65     8.06      -2.91      -0.02    -3.67     16
  37       H     0.15     4.59     7.65      -2.91      -0.02     4.57     16
  38       H     0.28    15.88     9.30     -74.06      -0.69    15.19     16
  39       H     0.25    -1.73     8.14      -2.39      -0.02    -1.75     16
  40       H     0.24    -1.07     8.14      -2.39      -0.02    -1.09     16
 Total:         -1.00  -145.67   364.80                -11.44  -157.11