REAL300018415401.mol2 39                                                        
   1       O    -0.71   -53.21    17.33      19.05       0.33   -52.88     16
   2       C     0.46    31.55     8.13      71.24       0.58    32.13     16
   3       O    -0.74   -54.24    18.00      19.03       0.34   -53.90     16
   4       C     0.09     4.82     6.93      85.63       0.59     5.42     16
   5       N    -0.40   -19.52     3.14    -343.40      -1.08   -20.59     16
   6       N    -0.31   -14.32    12.40     -53.06      -0.66   -14.98     16
   7       C     0.08     2.60    12.28      86.94       1.07     3.66     16
   8       C    -0.25    -8.34     6.36     -20.22      -0.13    -8.47     16
   9       C     0.01     0.23    10.05      22.24       0.22     0.46     16
  10       C    -0.22    -3.52     9.23      22.15       0.20    -3.32     16
  11       C     0.28     5.85     6.64      38.24       0.25     6.10     16
  12       N    -0.74    -8.21     5.72    -343.07      -1.96   -10.18     16
  13       C     0.16     0.15     5.02      85.63       0.43     0.58     16
  14       C    -0.08    -0.05     5.25     -19.80      -0.10    -0.15     16
  15       C    -0.03    -0.07     9.68      22.24       0.22     0.14     16
  16       C    -0.11    -1.08     9.75      22.49       0.22    -0.86     16
  17       C     0.32     5.23     9.80      22.82       0.22     5.46     16
  18       O    -0.74   -25.70    17.25    -127.47      -2.20   -27.89     16
  19       O    -0.75   -26.47    17.25    -127.47      -2.20   -28.67     16
  20       C    -0.11    -0.89     9.75      22.48       0.22    -0.67     16
  21       C    -0.03    -0.01     9.68      22.24       0.22     0.20     16
  22       C    -0.27    -9.08     9.83      22.51       0.22    -8.86     16
  23       C     0.15     6.20     6.86      39.18       0.27     6.46     16
  24       H     0.10     4.89     8.14      -2.39      -0.02     4.87     16
  25       H     0.11     5.05     8.13      -2.39      -0.02     5.03     16
  26       H     0.23     5.10     8.06      -2.91      -0.02     5.08     16
  27       H     0.17     1.94     8.06      -2.91      -0.02     1.91     16
  28       H     0.17     1.00     6.67      -2.91      -0.02     0.98     16
  29       H     0.40     4.73     8.46     -92.71      -0.78     3.95     16
  30       H     0.11    -0.38     7.87      -2.39      -0.02    -0.39     16
  31       H     0.10    -0.15     7.87      -2.38      -0.02    -0.17     16
  32       H     0.20    -0.48     8.06      -2.91      -0.02    -0.50     16
  33       H     0.17     2.02     7.77      -2.91      -0.02     2.00     16
  34       H     0.33    10.19     8.90     -74.06      -0.66     9.53     16
  35       H     0.33    10.39     8.90     -74.06      -0.66     9.73     16
  36       H     0.18     1.66     7.77      -2.91      -0.02     1.64     16
  37       H     0.21    -1.24     8.06      -2.91      -0.02    -1.26     16
  38       H     0.10     3.55     8.06      -2.91      -0.02     3.52     16
 Total:         -1.00  -119.80   347.12                 -5.08  -124.88