REAL300013458637.mol2 37                                                        
   1       O    -0.70   -25.57    18.00     -20.23      -0.36   -25.94     16
   2       C     0.50    16.03     6.99      36.01       0.25    16.28     16
   3       O    -0.70   -24.35    17.28     -20.23      -0.35   -24.70     16
   4       C    -0.15    -3.66     2.58     -91.77      -0.24    -3.89     16
   5       H     0.06     1.43     8.14     -51.93      -0.42     1.00     16
   6       C    -0.10    -1.84     4.75     -26.73      -0.13    -1.96     16
   7       C    -0.13    -1.77     5.61     -26.73      -0.15    -1.92     16
   8       C     0.17     2.27     2.78     -67.93      -0.19     2.09     16
   9       H     0.09     1.11     7.58     -51.93      -0.39     0.72     16
  10       N    -0.72    -9.43     4.24     -58.68      -0.25    -9.67     16
  11       C     0.71     9.14     8.30     -86.91      -0.72     8.42     16
  12       O    -0.57    -8.13    13.16       5.30       0.07    -8.06     16
  13       N    -0.67    -7.54     5.36     -12.63      -0.07    -7.61     16
  14       C     0.24     2.60     6.64     -81.29      -0.54     2.06     16
  15       C    -0.16    -1.35     8.58     -39.97      -0.34    -1.69     16
  16       C    -0.01    -0.04     9.83     -40.14      -0.39    -0.44     16
  17       C    -0.13    -0.76    10.27     -37.01      -0.38    -1.14     16
  18       C     0.19     2.04     7.36     -79.59      -0.59     1.45     16
  19       C     0.14     1.76     7.33     -79.31      -0.58     1.18     16
  20       N    -0.37    -5.51    18.95      35.14       0.67    -4.85     16
  21       N    -0.30    -3.87    19.05      34.97       0.67    -3.21     16
  22       C    -0.13    -2.06     5.60     -26.70      -0.15    -2.21     16
  23       C    -0.09    -1.94     5.03     -26.71      -0.13    -2.08     16
  24       H     0.06     1.23     6.24     -51.93      -0.32     0.91     16
  25       H     0.06     1.16     8.14     -51.93      -0.42     0.73     16
  26       H     0.06     0.75     8.14     -51.93      -0.42     0.33     16
  27       H     0.08     1.01     8.14     -51.93      -0.42     0.59     16
  28       H     0.41     5.29     6.89     -40.82      -0.28     5.01     16
  29       H     0.42     4.38     8.77     -40.82      -0.36     4.02     16
  30       H     0.17     1.59     5.59     -52.49      -0.29     1.30     16
  31       H     0.15     0.26     8.06     -52.49      -0.42    -0.16     16
  32       H     0.16     0.51     8.06     -52.49      -0.42     0.09     16
  33       H     0.07     1.05     8.14     -51.93      -0.42     0.62     16
  34       H     0.06     1.00     8.14     -51.93      -0.42     0.58     16
  35       H     0.06     1.23     7.61     -51.93      -0.39     0.83     16
  36       H     0.06     1.23     8.14     -51.93      -0.42     0.81     16
 Total:         -1.00   -40.75   303.47                 -5.19   -45.93