REAL300032497032.mol2 43                                                        
   1       O    -0.59   -19.53    15.44       9.99       0.15   -19.38     16
   2       C     0.51    10.79     7.71      87.66       0.68    11.47     16
   3       C    -0.15    -1.78     5.39      29.85       0.16    -1.62     16
   4       C     0.11     2.03     3.12      29.79       0.09     2.12     16
   5       O    -0.46   -15.94    13.97    -122.15      -1.71   -17.64     16
   6       O    -0.78   -33.12    18.54    -128.57      -2.38   -35.50     16
   7       C     0.26     3.63    10.27      22.77       0.23     3.86     16
   8       C    -0.12    -0.35    10.09      22.43       0.23    -0.12     16
   9       C    -0.05     0.40    10.04      22.27       0.22     0.62     16
  10       C    -0.07     0.79    10.04      22.34       0.22     1.01     16
  11       C    -0.06     0.37    10.04      22.24       0.22     0.59     16
  12       C    -0.08    -0.54     5.56     -19.69      -0.11    -0.65     16
  13       N    -0.71   -10.99     5.45    -463.04      -2.52   -13.51     16
  14       C     0.09     1.74     5.34      86.38       0.46     2.20     16
  15       C     0.11     1.95     3.08      30.59       0.09     2.04     16
  16       O    -0.56    -9.57    13.03    -148.98      -1.94   -11.52     16
  17       C     0.09     2.32     5.31      86.38       0.46     2.78     16
  18       N    -0.69   -23.94     5.50    -466.30      -2.56   -26.50     16
  19       C     0.60    29.87     7.81      86.69       0.68    30.54     16
  20       O    -0.56   -32.97    15.72      13.48       0.21   -32.76     16
  21       C    -0.09    -4.58     6.69      41.98       0.28    -4.30     16
  22       N    -0.47   -20.53    10.83     -77.91      -0.84   -21.38     16
  23       S     0.52    21.62    24.20     -56.49      -1.37    20.26     16
  24       N    -0.64   -37.28    12.18    -177.24      -2.16   -39.44     16
  25       C     0.35    23.01     8.19      85.12       0.70    23.70     16
  26       O    -0.73   -56.76    17.64     -73.78      -1.30   -58.06     16
  27       H     0.16     0.00     8.14      -2.39      -0.02    -0.02     16
  28       H     0.11     1.22     8.14      -2.39      -0.02     1.20     16
  29       H     0.11     2.00     7.93      -2.39      -0.02     1.99     16
  30       H     0.32    13.30     9.30     -74.05      -0.69    12.61     16
  31       H     0.18     0.52     8.06      -2.91      -0.02     0.49     16
  32       H     0.21    -3.52     8.06      -2.91      -0.02    -3.55     16
  33       H     0.21    -4.20     8.06      -2.91      -0.02    -4.22     16
  34       H     0.21    -2.82     8.06      -2.91      -0.02    -2.85     16
  35       H     0.42     3.85     8.35     -92.71      -0.77     3.08     16
  36       H     0.08     1.55     8.14      -2.38      -0.02     1.54     16
  37       H     0.06     1.34     8.14      -2.39      -0.02     1.32     16
  38       H     0.13     1.83     8.14      -2.39      -0.02     1.81     16
  39       H     0.39     5.56     9.05     -74.06      -0.67     4.89     16
  40       H     0.08     2.14     8.14      -2.39      -0.02     2.12     16
  41       H     0.07     1.91     8.14      -2.39      -0.02     1.90     16
  42       H     0.42    12.57     7.96     -92.70      -0.74    11.83     16
 Total:         -1.00  -132.12   392.99                -14.92  -147.04