REAL300019996799.mol2 38                                                        
   1       O    -0.55   -19.39    16.00      -3.78      -0.06   -19.45     16
   2       C     0.56    14.76     7.74      86.86       0.67    15.43     16
   3       N    -0.69   -18.62     4.96    -452.34      -2.24   -20.86     16
   4       C     0.31    11.14     2.71      43.50       0.12    11.26     16
   5       C     0.06     2.96     7.16     138.33       0.99     3.95     16
   6       N    -0.38   -20.06    12.45     -50.84      -0.63   -20.69     16
   7       N    -0.22   -13.25    13.46      37.02       0.50   -12.76     16
   8       N    -0.22   -13.71    13.46      37.02       0.50   -13.21     16
   9       N    -0.40   -23.15    12.45     -50.84      -0.63   -23.78     16
  10       C    -0.10    -3.06     4.94     -19.87      -0.10    -3.16     16
  11       C    -0.12    -3.32     9.67      22.27       0.22    -3.11     16
  12       C    -0.12    -2.68    10.05      22.27       0.22    -2.45     16
  13       C    -0.12    -2.28    10.05      22.27       0.22    -2.06     16
  14       C    -0.12    -2.53    10.05      22.27       0.22    -2.30     16
  15       C    -0.11    -2.87     9.05      22.27       0.20    -2.67     16
  16       C    -0.12    -1.90     5.88     -20.04      -0.12    -2.02     16
  17       C     0.00    -0.05     9.53      22.52       0.21     0.17     16
  18       C    -0.11    -1.69    10.08      22.41       0.23    -1.47     16
  19       C     0.30     6.28    10.27      22.76       0.23     6.51     16
  20       O    -0.98   -52.46    18.54    -128.57      -2.38   -54.84     16
  21       O    -0.40   -11.28    15.05    -128.57      -1.94   -13.22     16
  22       C     0.08     0.74     7.74      71.19       0.55     1.30     16
  23       C    -0.12    -1.37     6.30     -19.71      -0.12    -1.49     16
  24       C     0.02     0.21     9.58      22.50       0.22     0.42     16
  25       H     0.41     8.08     4.89     -92.71      -0.45     7.63     16
  26       H     0.10     3.65     7.44      -2.39      -0.02     3.63     16
  27       H     0.12     3.33     8.04      -2.91      -0.02     3.31     16
  28       H     0.15     2.38     8.06      -2.91      -0.02     2.35     16
  29       H     0.15     1.93     8.06      -2.91      -0.02     1.91     16
  30       H     0.15     2.22     8.06      -2.91      -0.02     2.20     16
  31       H     0.13     3.03     6.92      -2.91      -0.02     3.01     16
  32       H     0.20     1.12     6.39      -2.91      -0.02     1.10     16
  33       H     0.19     2.61     8.06      -2.91      -0.02     2.59     16
  34       H     0.28    14.72     9.30     -74.06      -0.69    14.03     16
  35       H     0.24    -0.23     8.14      -2.38      -0.02    -0.25     16
  36       H     0.23     0.14     8.14      -2.39      -0.02     0.12     16
  37       H     0.21     1.61     7.64      -2.91      -0.02     1.59     16
 Total:         -1.00  -112.99   336.28                 -4.30  -117.29