REMARK  Name = BDB000517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.915   1.675  -0.695  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -3.729   0.743  -0.707  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.889   1.000   0.385  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.747   0.245   0.621  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.435  -0.785  -0.268  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.281  -1.046  -1.358  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.427   2.115   1.226  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.437  -0.291  -1.580  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.380   2.791   0.234  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.330   2.247  -2.050  0.00  0.00    +0.128 C 
BRANCH  10  12
ATOM     11  O   LIG    1       -6.785   0.313  -2.424  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1       -6.210   1.309  -2.829  0.00  0.00    +0.305 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -6.355   1.704  -4.110  0.00  0.00    -0.481 OA
ATOM     14  H   LIG    1       -6.953   1.033  -4.502  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1       -0.348  -1.614  -0.185  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        0.551  -1.401   0.904  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.688  -2.416   0.798  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.561  -2.187  -0.436  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.194  -0.906  -0.397  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.392  -0.771   0.252  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        5.059  -1.782   0.954  0.00  0.00    +0.094 A 
ATOM     22  C   LIG    1        6.265  -1.412   1.542  0.00  0.00    +0.158 A 
ATOM     23  C   LIG    1        6.830  -0.148   1.480  0.00  0.00    +0.109 A 
ATOM     24  N   LIG    1        8.017  -0.133   2.167  0.00  0.00    -0.216 NA
ATOM     25  C   LIG    1        8.124  -1.367   2.611  0.00  0.00    +0.309 A 
ATOM     26  C   LIG    1        6.157   0.856   0.777  0.00  0.00    +0.035 A 
ATOM     27  O   LIG    1        7.102  -2.205   2.276  0.00  0.00    -0.442 OA
ATOM     28  C   LIG    1        4.935   0.522   0.170  0.00  0.00    +0.048 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 9