REMARK  Name = BDB039089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.580   3.227   0.040  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.297   3.167  -0.474  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.558   1.907  -0.501  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.107   2.034  -0.891  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        1.530   3.279  -1.232  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        0.174   3.371  -1.574  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.647   2.240  -1.616  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.064   1.011  -1.289  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.550  -0.278  -1.211  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.497  -1.110  -0.863  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.601  -0.410  -0.684  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        2.372   4.530  -1.172  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.277   0.896  -0.940  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        3.852   4.217  -1.376  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.323   4.196  -0.077  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        0.410  -2.608  -0.712  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        1.359  -3.313  -1.705  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        2.690  -3.695  -1.066  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        2.503  -4.640   0.122  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        1.177  -4.444   0.857  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        0.681  -3.008   0.752  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        7.250   2.108   1.245  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        5.934   2.086   0.693  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.916  -0.679  -1.498  0.00  0.00    +0.124 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.748  -1.016  -0.253  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.062   0.183   0.670  0.00  0.00    -0.009 C 
ATOM     27  C   LIG    1       -3.605  -0.294   2.032  0.00  0.00    +0.018 C 
ATOM     28  C   LIG    1       -5.038  -0.844   1.955  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -5.981   0.185   1.328  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -5.477   0.669  -0.028  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -4.044   1.191   0.049  0.00  0.00    +0.003 C 
BRANCH  28  32
ATOM     32  C   LIG    1       -5.540  -1.231   3.337  0.00  0.00    +0.308 C 
ATOM     33  O   LIG    1       -5.047  -0.866   4.392  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -6.621  -2.046   3.296  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -6.921  -2.268   2.395  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7