REAL300032632485.mol2 43                                                        
   1       O    -0.58   -24.28    15.42      10.66       0.16   -24.11     16
   2       C     0.51    15.77     7.71      87.65       0.68    16.45     16
   3       C    -0.15    -3.14     5.40      29.85       0.16    -2.97     16
   4       C     0.11     2.82     3.12      29.79       0.09     2.91     16
   5       O    -0.46   -20.09    13.93    -121.96      -1.70   -21.79     16
   6       O    -0.80   -41.15    18.54    -128.58      -2.38   -43.53     16
   7       C     0.26     5.32    10.28      22.77       0.23     5.56     16
   8       C    -0.12    -1.05    10.09      22.43       0.23    -0.82     16
   9       C    -0.04     0.19    10.04      22.27       0.22     0.41     16
  10       C    -0.07     0.51    10.04      22.34       0.22     0.74     16
  11       C    -0.06     0.12    10.04      22.24       0.22     0.34     16
  12       C    -0.08    -0.98     5.57     -19.69      -0.11    -1.09     16
  13       N    -0.71   -19.49     5.40    -463.07      -2.50   -21.99     16
  14       C     0.16     4.85     5.90      86.38       0.51     5.36     16
  15       C     0.06     1.65     2.16       3.63       0.01     1.66     16
  16       N    -0.67   -23.03     4.48    -425.95      -1.91   -24.94     16
  17       C     0.60    30.45     7.65      86.69       0.66    31.11     16
  18       O    -0.55   -33.36    15.10      13.46       0.20   -33.15     16
  19       C    -0.09    -4.64     6.69      41.98       0.28    -4.36     16
  20       N    -0.46   -19.72    10.84     -77.91      -0.84   -20.57     16
  21       S     0.52    21.52    24.20     -56.49      -1.37    20.15     16
  22       N    -0.65   -37.94    12.18    -177.23      -2.16   -40.10     16
  23       C     0.35    23.27     8.19      85.12       0.70    23.96     16
  24       O    -0.73   -58.47    17.64     -73.76      -1.30   -59.77     16
  25       C    -0.17    -4.96     9.22      30.60       0.28    -4.67     16
  26       C    -0.11    -2.00    10.11      30.62       0.31    -1.69     16
  27       H     0.16     1.06     8.14      -2.39      -0.02     1.04     16
  28       H     0.09     2.16     8.14      -2.38      -0.02     2.14     16
  29       H     0.12     2.79     7.95      -2.39      -0.02     2.77     16
  30       H     0.32    16.43     9.30     -74.06      -0.69    15.74     16
  31       H     0.17     1.56     8.06      -2.91      -0.02     1.53     16
  32       H     0.22    -2.75     8.06      -2.91      -0.02    -2.77     16
  33       H     0.22    -3.74     8.06      -2.91      -0.02    -3.76     16
  34       H     0.22    -2.24     8.06      -2.91      -0.02    -2.27     16
  35       H     0.41     8.89     7.65     -92.71      -0.71     8.18     16
  36       H     0.03     1.11     8.14      -2.38      -0.02     1.09     16
  37       H     0.10     2.53     7.91      -2.39      -0.02     2.51     16
  38       H     0.42    11.44     8.17     -92.71      -0.76    10.68     16
  39       H     0.11     2.97     8.14      -2.39      -0.02     2.95     16
  40       H     0.07     2.61     8.14      -2.39      -0.02     2.59     16
  41       H     0.14     1.60     8.06      -2.39      -0.02     1.58     16
  42       H     0.12     1.82     8.14      -2.39      -0.02     1.80     16
 Total:         -1.00  -139.60   390.02                -11.52  -151.12