REMARK  Name = BDB053434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.661  -4.309  -1.030  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -0.669  -3.305  -0.726  0.00  0.00    -0.241 N 
ATOM      3  C   LIG    1       -0.865  -1.984  -0.423  0.00  0.00    +0.194 C 
ATOM      4  N   LIG    1        0.241  -1.338  -0.192  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1        1.251  -2.256  -0.340  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        2.569  -2.075  -0.190  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        0.670  -3.575  -0.693  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1        1.259  -4.620  -0.895  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.243  -0.818   0.173  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        2.801   0.433  -0.286  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        3.516   1.555   0.081  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        3.221   2.835  -0.270  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        4.287   3.550   0.388  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.198   2.691   1.105  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.644   1.473   0.863  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.120   0.266   1.320  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.413  -0.889   0.964  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1       -2.138  -1.478  -0.396  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -2.887  -2.113  -0.629  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.585  -0.177  -0.085  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -3.958   0.101  -0.229  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1       -4.419   1.371   0.058  0.00  0.00    +0.168 A 
ATOM     23  O   LIG    1       -5.711   1.786  -0.033  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1       -5.582   3.163   0.379  0.00  0.00    +0.466 C 
ATOM     25  O   LIG    1       -4.228   3.539   0.706  0.00  0.00    -0.453 OA
ATOM     26  C   LIG    1       -3.577   2.368   0.478  0.00  0.00    +0.166 A 
ATOM     27  C   LIG    1       -2.229   2.148   0.633  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1       -1.738   0.866   0.347  0.00  0.00    +0.027 A 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 3