REAL300009850688.mol2 41                                                        
   1       O    -0.72   -54.44    17.40      25.16       0.44   -54.00     16
   2       C     0.47    32.49     8.13      71.23       0.58    33.07     16
   3       O    -0.73   -54.05    18.00      19.03       0.34   -53.71     16
   4       C     0.03     1.33     6.50      71.23       0.46     1.80     16
   5       O    -0.38   -18.25     9.86    -130.00      -1.28   -19.53     16
   6       C     0.12     4.03     5.93      71.23       0.42     4.45     16
   7       C     0.04     1.02     7.07      25.19       0.18     1.20     16
   8       C    -0.07    -1.73     6.99      40.40       0.28    -1.45     16
   9       C     0.60    15.49     7.65      86.65       0.66    16.15     16
  10       O    -0.53   -17.07    12.20      -4.06      -0.05   -17.12     16
  11       N    -0.64   -10.62     5.30    -306.55      -1.63   -12.25     16
  12       C     0.17     2.51     6.28      38.26       0.24     2.75     16
  13       C    -0.11    -0.95     9.69      22.68       0.22    -0.73     16
  14       C    -0.03    -0.32     5.74     -21.25      -0.12    -0.44     16
  15       C    -0.01    -0.05     9.73      22.31       0.22     0.17     16
  16       C    -0.12    -1.35     9.65      22.23       0.21    -1.13     16
  17       C     0.32     6.50     9.78      22.86       0.22     6.72     16
  18       O    -0.75   -28.32    17.19    -127.47      -2.19   -30.51     16
  19       O    -0.73   -25.96    17.20    -127.47      -2.19   -28.15     16
  20       C    -0.08    -1.28     9.49      22.79       0.22    -1.06     16
  21       C    -0.03    -0.47     5.74     -21.28      -0.12    -0.59     16
  22       C    -0.07    -1.07     9.74      22.33       0.22    -0.85     16
  23       C    -0.11    -1.97     8.58      22.16       0.19    -1.78     16
  24       N    -0.48    -9.03    11.06    -305.15      -3.38   -12.41     16
  25       C     0.21     3.00    13.19     130.52       1.72     4.72     16
  26       O    -0.20    -4.47    10.73       0.31       0.00    -4.46     16
  27       H     0.08     3.57     8.14      -2.39      -0.02     3.55     16
  28       H     0.07     3.38     8.14      -2.38      -0.02     3.36     16
  29       H     0.09     2.47     8.14      -2.38      -0.02     2.45     16
  30       H     0.10     3.23     6.48      -2.39      -0.02     3.22     16
  31       H     0.44     4.63     8.55     -92.71      -0.79     3.84     16
  32       H     0.19     0.13     8.06      -2.91      -0.02     0.11     16
  33       H     0.23    -1.21     8.06      -2.92      -0.02    -1.23     16
  34       H     0.18     1.96     7.73      -2.91      -0.02     1.94     16
  35       H     0.33    10.95     8.90     -74.05      -0.66    10.29     16
  36       H     0.33    10.42     8.90     -74.06      -0.66     9.76     16
  37       H     0.18     3.11     7.73      -2.91      -0.02     3.09     16
  38       H     0.16     1.80     8.06      -2.91      -0.02     1.77     16
  39       H     0.14     2.96     6.18      -2.91      -0.02     2.94     16
  40       H     0.32    -0.01     8.06      -2.91      -0.02    -0.03     16
 Total:         -1.00  -117.64   369.96                 -6.47  -124.11