REAL300009850743.mol2 38                                                        
   1       O    -0.72   -52.66    17.33      19.04       0.33   -52.33     16
   2       C     0.46    30.60     8.12      71.24       0.58    31.18     16
   3       O    -0.73   -53.11    18.00      19.01       0.34   -52.77     16
   4       C     0.04     1.83     5.88      85.63       0.50     2.34     16
   5       N    -0.46   -19.24     2.06    -653.79      -1.35   -20.59     16
   6       C     0.16     4.46    10.25      83.56       0.86     5.32     16
   7       C    -0.23    -4.42     9.99      21.99       0.22    -4.20     16
   8       C     0.06     1.39     9.74      22.83       0.22     1.62     16
   9       C    -0.31   -11.53     4.85     -19.79      -0.10   -11.63     16
  10       C     0.60    23.85     6.84      86.56       0.59    24.44     16
  11       O    -0.59   -31.06    17.41      -4.20      -0.07   -31.13     16
  12       N    -0.61   -15.46     3.33    -816.08      -2.72   -18.17     16
  13       C     0.09     0.89     6.47      86.73       0.56     1.45     16
  14       C    -0.08     0.26     6.42      31.78       0.20     0.47     16
  15       C    -0.15    -0.67     3.18      -9.40      -0.03    -0.70     16
  16       C     0.41     0.58     9.02      71.98       0.65     1.23     16
  17       O    -0.80   -25.67    17.78    -127.47      -2.27   -27.94     16
  18       O    -0.74   -24.42    14.69    -127.47      -1.87   -26.29     16
  19       C     0.11     2.31     5.39      86.86       0.47     2.78     16
  20       C     0.51    24.38     7.44      85.17       0.63    25.02     16
  21       O    -0.61   -35.90    16.10      -4.94      -0.08   -35.98     16
  22       H     0.09     4.58     7.37      -2.38      -0.02     4.56     16
  23       H     0.15     5.25     8.00      -2.39      -0.02     5.23     16
  24       H     0.20     3.83     8.02      -2.91      -0.02     3.80     16
  25       H     0.21     1.66     8.06      -2.91      -0.02     1.63     16
  26       H     0.18     2.57     8.06      -2.91      -0.02     2.54     16
  27       H     0.10     0.59     7.97      -2.39      -0.02     0.57     16
  28       H     0.07     0.95     8.14      -2.39      -0.02     0.93     16
  29       H     0.12    -1.02     8.04      -2.38      -0.02    -1.04     16
  30       H     0.16    -2.02     8.14      -2.39      -0.02    -2.04     16
  31       H     0.14     0.61     8.14      -2.39      -0.02     0.59     16
  32       H     0.21    -2.17     8.14      -2.38      -0.02    -2.19     16
  33       H     0.18    -1.05     8.10      -2.39      -0.02    -1.07     16
  34       H     0.32    10.01     8.90     -74.06      -0.66     9.35     16
  35       H     0.32    10.50     8.90     -74.06      -0.66     9.84     16
  36       H     0.07     1.52     8.00      -2.39      -0.02     1.50     16
  37       H     0.06     2.02     6.48      -2.38      -0.02     2.00     16
 Total:         -1.00  -145.78   328.75                 -3.92  -149.70