REAL300019849706.mol2 39                                                        
   1       O    -0.54   -33.61    11.21      10.67       0.12   -33.49     16
   2       C     0.49    21.73     7.51      87.66       0.66    22.39     16
   3       C    -0.13    -3.85     3.84      29.85       0.11    -3.73     16
   4       C     0.11     3.94     3.12      29.79       0.09     4.03     16
   5       O    -0.46   -24.44    13.93    -121.95      -1.70   -26.14     16
   6       O    -0.78   -42.91    18.54    -128.58      -2.38   -45.30     16
   7       C     0.26     6.28    10.28      22.77       0.23     6.51     16
   8       C    -0.12    -1.20    10.09      22.43       0.23    -0.97     16
   9       C    -0.04     0.11    10.04      22.27       0.22     0.34     16
  10       C    -0.06     0.31    10.04      22.34       0.22     0.54     16
  11       C    -0.06    -0.19    10.04      22.24       0.22     0.04     16
  12       C    -0.08    -1.45     5.56     -19.69      -0.11    -1.56     16
  13       N    -0.62   -23.58     3.01    -796.90      -2.40   -25.98     16
  14       C     0.07     1.56     6.52      86.35       0.56     2.12     16
  15       C     0.04     0.82     6.98      72.08       0.50     1.32     16
  16       O    -0.38   -11.73    10.74    -148.98      -1.60   -13.33     16
  17       C     0.08     3.21     6.28      72.22       0.45     3.66     16
  18       C     0.23    10.43     3.64      44.36       0.16    10.59     16
  19       C     0.10     6.15     4.44     138.59       0.62     6.76     16
  20       N    -0.41   -28.32    12.40     -51.29      -0.64   -28.95     16
  21       N    -0.23   -17.01    13.47      37.02       0.50   -16.51     16
  22       N    -0.23   -17.09    13.45      37.02       0.50   -16.59     16
  23       N    -0.38   -26.76    10.67     -51.29      -0.55   -27.31     16
  24       H     0.11     2.81     7.46      -2.38      -0.02     2.79     16
  25       H     0.15     2.34     8.14      -2.38      -0.02     2.32     16
  26       H     0.08     3.01     7.95      -2.39      -0.02     2.99     16
  27       H     0.32    17.96     9.30     -74.06      -0.69    17.27     16
  28       H     0.18     1.73     8.06      -2.91      -0.02     1.70     16
  29       H     0.22    -2.72     8.06      -2.91      -0.02    -2.74     16
  30       H     0.22    -3.26     8.06      -2.91      -0.02    -3.28     16
  31       H     0.21    -0.76     8.06      -2.91      -0.02    -0.78     16
  32       H     0.13     1.74     6.07      -2.39      -0.01     1.72     16
  33       H     0.11     1.70     8.14      -2.39      -0.02     1.68     16
  34       H     0.04     1.08     8.14      -2.39      -0.02     1.06     16
  35       H     0.15     1.89     8.14      -2.39      -0.02     1.87     16
  36       H     0.04     1.79     8.00      -2.39      -0.02     1.77     16
  37       H     0.10     4.07     8.14      -2.39      -0.02     4.05     16
  38       H     0.09     4.06     8.14      -2.39      -0.02     4.04     16
 Total:         -1.00  -140.18   325.67                 -4.94  -145.11