REAL300018695748.mol2 38                                                        
   1       O    -0.70   -18.99    18.00      19.05       0.34   -18.65     16
   2       C     0.48     5.82     6.71      71.23       0.48     6.30     16
   3       O    -0.70   -12.50    15.21      19.04       0.29   -12.21     16
   4       C     0.04    -0.43     2.52      43.42       0.11    -0.32     16
   5       N    -0.47    11.92     1.26    -503.37      -0.63    11.29     16
   6       H     0.45   -17.14     8.59     -89.69      -0.77   -17.91     16
   7       H     0.43    -9.62     6.60     -89.69      -0.59   -10.21     16
   8       C     0.04    -1.14     5.12      85.56       0.44    -0.70     16
   9       C    -0.07     1.82     5.35     -19.90      -0.11     1.72     16
  10       C    -0.04     1.26     9.69      22.33       0.22     1.48     16
  11       C    -0.04     1.15    10.03      22.24       0.22     1.37     16
  12       C    -0.09     1.26     9.75      22.48       0.22     1.48     16
  13       C     0.31    -1.13     9.80      22.83       0.22    -0.90     16
  14       O    -0.75   -16.78    17.25    -127.47      -2.20   -18.98     16
  15       O    -0.74   -14.54    17.25    -127.47      -2.20   -16.74     16
  16       C    -0.10     1.04     9.40      22.49       0.21     1.25     16
  17       C    -0.09     0.64     4.83     -19.88      -0.10     0.55     16
  18       C    -0.13     1.08     9.30      22.28       0.21     1.29     16
  19       C    -0.10     0.60    10.04      22.25       0.22     0.83     16
  20       C    -0.14     0.49     9.99      22.36       0.22     0.71     16
  21       C     0.10    -0.17     6.70      22.50       0.15    -0.02     16
  22       O    -0.51     0.81    13.50     -92.48      -1.25    -0.43     16
  23       C    -0.12     0.44     9.61      22.37       0.21     0.66     16
  24       H     0.18    -3.31     7.95      -2.38      -0.02    -3.33     16
  25       H     0.12    -1.57     5.95      -2.39      -0.01    -1.58     16
  26       H     0.20    -7.31     8.05      -2.38      -0.02    -7.33     16
  27       H     0.24   -10.43     8.06      -2.91      -0.02   -10.45     16
  28       H     0.22    -7.85     8.06      -2.91      -0.02    -7.87     16
  29       H     0.17    -1.90     7.77      -2.91      -0.02    -1.92     16
  30       H     0.33     6.47     8.90     -74.06      -0.66     5.81     16
  31       H     0.33     5.73     8.90     -74.06      -0.66     5.07     16
  32       H     0.16    -0.50     7.77      -2.91      -0.02    -0.52     16
  33       H     0.15    -1.92     6.74      -2.91      -0.02    -1.94     16
  34       H     0.15    -1.48     8.06      -2.91      -0.02    -1.50     16
  35       H     0.14    -0.72     8.06      -2.91      -0.02    -0.74     16
  36       H     0.41    -3.55     9.06     -74.06      -0.67    -4.22     16
  37       H     0.14    -0.72     8.04      -2.91      -0.02    -0.74     16
 Total:          0.00   -93.14   327.88                 -6.30   -99.44