REMARK  Name = BDB050479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.149  -1.519  -0.139  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        1.935  -0.863  -1.085  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.822  -1.584  -1.899  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1        2.857  -2.963  -1.740  0.00  0.00    +0.116 A 
ATOM      5  N   LIG    1        2.118  -3.637  -0.831  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.288  -2.902  -0.058  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -0.055   0.473   0.778  0.00  0.00    +0.222 C 
ATOM      8  N   LIG    1        0.208  -0.884   0.700  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -0.327  -1.498   1.304  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        0.610   1.360   0.254  0.00  0.00    -0.275 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -4.926   0.599   1.428  0.00  0.00    +0.403 C 
ATOM     12  N   LIG    1       -3.611   0.973   1.541  0.00  0.00    -0.267 N 
ATOM     13  C   LIG    1       -2.529   0.114   1.112  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -1.266   0.786   1.643  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -1.657   2.270   1.640  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -3.132   2.255   2.020  0.00  0.00    +0.112 C 
ATOM     17  O   LIG    1       -5.274  -0.491   0.995  0.00  0.00    -0.226 OA
BRANCH  11  18
ATOM     18  O   LIG    1       -5.762   1.579   1.850  0.00  0.00    -0.445 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -7.655   0.281   2.743  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1       -7.203   1.406   1.807  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1       -7.769   2.736   2.335  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -7.699   1.197   0.373  0.00  0.00    +0.055 C 
ENDBRANCH  18  20
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        3.653  -0.883  -2.947  0.00  0.00    +0.163 C 
BRANCH  23  24
ATOM     24  N   LIG    1        5.077  -1.228  -2.907  0.00  0.00    -0.289 N 
ATOM     25  C   LIG    1        5.954  -0.648  -1.939  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        7.309  -1.003  -1.936  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1        8.208  -0.462  -1.007  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        7.757   0.452  -0.060  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.416   0.820  -0.044  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        7.801  -1.964  -2.935  0.00  0.00    +0.262 A 
ATOM     31  O   LIG    1        8.976  -2.313  -2.984  0.00  0.00    -0.267 OA
ATOM     32  N   LIG    1        6.868  -2.447  -3.808  0.00  0.00    -0.274 N 
ATOM     33  H   LIG    1        7.187  -3.113  -4.493  0.00  0.00    +0.173 HD
ATOM     34  C   LIG    1        5.522   0.275  -0.975  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1        5.540  -2.144  -3.839  0.00  0.00    +0.330 A 
ATOM     36  O   LIG    1        4.824  -2.698  -4.673  0.00  0.00    -0.246 OA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6