REAL300018415400.mol2 39                                                        
   1       O    -0.71   -50.46    17.33      19.05       0.33   -50.13     16
   2       C     0.47    30.61     8.13      71.24       0.58    31.19     16
   3       O    -0.73   -52.44    18.00      19.03       0.34   -52.10     16
   4       C     0.08     4.31     6.93      85.63       0.59     4.90     16
   5       N    -0.39   -18.08     3.14    -343.41      -1.08   -19.16     16
   6       N    -0.28   -11.91    12.40     -53.07      -0.66   -12.57     16
   7       C     0.08     2.42    12.28      86.94       1.07     3.49     16
   8       C    -0.19    -6.02     6.36     -20.21      -0.13    -6.15     16
   9       C     0.01     0.20    10.05      22.24       0.22     0.43     16
  10       C    -0.19    -3.71     9.23      22.15       0.20    -3.51     16
  11       C     0.25     6.44     6.65      38.23       0.25     6.70     16
  12       N    -0.56   -11.84     4.94    -343.09      -1.70   -13.54     16
  13       C     0.15     2.13     4.06      85.63       0.35     2.47     16
  14       C    -0.12    -1.57     5.28     -19.65      -0.10    -1.67     16
  15       C    -0.04    -0.02     9.66      22.24       0.21     0.19     16
  16       C    -0.09     0.20    10.04      22.33       0.22     0.42     16
  17       C    -0.04    -0.16    10.03      22.24       0.22     0.07     16
  18       C    -0.14    -2.60     9.75      22.48       0.22    -2.38     16
  19       C     0.31     8.15     9.76      22.83       0.22     8.37     16
  20       O    -0.80   -36.26    13.35    -127.47      -1.70   -37.96     16
  21       O    -0.99   -59.57    17.25    -127.47      -2.20   -61.77     16
  22       C    -0.19    -6.69     9.84      22.50       0.22    -6.47     16
  23       C     0.13     5.24     6.86      39.18       0.27     5.51     16
  24       H     0.11     5.04     8.14      -2.38      -0.02     5.02     16
  25       H     0.11     4.98     8.13      -2.39      -0.02     4.96     16
  26       H     0.25     4.41     8.06      -2.91      -0.02     4.39     16
  27       H     0.19     1.93     8.06      -2.91      -0.02     1.90     16
  28       H     0.17     2.03     6.67      -2.91      -0.02     2.01     16
  29       H     0.41     8.90     8.46     -92.72      -0.78     8.12     16
  30       H     0.12     2.67     5.57      -2.39      -0.01     2.65     16
  31       H     0.17     0.43     7.79      -2.39      -0.02     0.41     16
  32       H     0.22    -1.80     8.03      -2.91      -0.02    -1.82     16
  33       H     0.21    -2.40     8.06      -2.91      -0.02    -2.42     16
  34       H     0.20    -0.78     8.06      -2.91      -0.02    -0.81     16
  35       H     0.15     3.67     7.77      -2.91      -0.02     3.64     16
  36       H     0.29    14.50     8.90     -74.06      -0.66    13.84     16
  37       H     0.27    16.24     8.90     -74.06      -0.66    15.58     16
  38       H     0.12     4.27     8.06      -2.91      -0.02     4.25     16
 Total:         -1.00  -137.54   339.97                 -4.38  -141.93