REAL300033812647.mol2 41                                                        
   1       O    -0.55   -15.49    14.31      -3.90      -0.06   -15.55     16
   2       C     0.56    10.84     7.34      86.79       0.64    11.48     16
   3       N    -0.67   -10.15     5.10    -430.38      -2.19   -12.35     16
   4       C     0.15     2.66     0.81       5.36       0.00     2.66     16
   5       C     0.09     1.08     6.29      71.98       0.45     1.53     16
   6       O    -0.57    -5.18    13.55    -148.98      -2.02    -7.20     16
   7       C     0.13     2.60     7.05      86.48       0.61     3.21     16
   8       N    -0.64   -20.54     3.61    -839.75      -3.03   -23.57     16
   9       C     0.62    29.61     8.04      86.69       0.70    30.31     16
  10       O    -0.56   -33.48    16.45      13.48       0.22   -33.26     16
  11       C    -0.08    -3.88     6.68      41.98       0.28    -3.60     16
  12       N    -0.46   -16.93     9.33     -77.87      -0.73   -17.65     16
  13       S     0.52    18.86    24.20     -56.49      -1.37    17.49     16
  14       N    -0.65   -34.72    12.18    -177.22      -2.16   -36.88     16
  15       C     0.35    21.64     8.19      85.12       0.70    22.34     16
  16       O    -0.74   -55.37    17.64     -73.74      -1.30   -56.67     16
  17       C     0.10     2.72     7.69      86.48       0.66     3.39     16
  18       C    -0.08    -1.02     5.87     -20.09      -0.12    -1.14     16
  19       C    -0.05    -0.04     9.53      22.59       0.22     0.18     16
  20       C    -0.01     0.07    10.02      22.21       0.22     0.29     16
  21       C    -0.08    -0.34     6.31     -19.60      -0.12    -0.47     16
  22       C     0.27     5.77    10.26      22.74       0.23     6.00     16
  23       C    -0.09    -1.86     9.64      22.70       0.22    -1.64     16
  24       O    -1.01   -58.53    18.54    -128.57      -2.38   -60.91     16
  25       O    -0.41   -10.92    15.05    -128.57      -1.93   -12.85     16
  26       C     0.08     0.20     7.74      71.19       0.55     0.75     16
  27       H     0.42     3.57     6.72     -92.71      -0.62     2.95     16
  28       H     0.05     0.81     7.19      -2.39      -0.02     0.79     16
  29       H     0.09     0.70     8.11      -2.38      -0.02     0.68     16
  30       H     0.40     0.52     9.12     -74.06      -0.68    -0.15     16
  31       H     0.11     1.95     7.26      -2.39      -0.02     1.94     16
  32       H     0.12     1.91     8.08      -2.39      -0.02     1.89     16
  33       H     0.12     2.51     8.10      -2.39      -0.02     2.49     16
  34       H     0.07     2.12     7.26      -2.39      -0.02     2.10     16
  35       H     0.20    -1.28     6.40      -2.91      -0.02    -1.29     16
  36       H     0.25    -4.61     8.06      -2.91      -0.02    -4.63     16
  37       H     0.15     4.29     7.65      -2.91      -0.02     4.27     16
  38       H     0.28    15.59     9.30     -74.06      -0.69    14.90     16
  39       H     0.25    -2.14     8.14      -2.39      -0.02    -2.16     16
  40       H     0.24    -1.77     8.14      -2.39      -0.02    -1.78     16
 Total:         -1.00  -148.21   370.96                -13.90  -162.11