REMARK  Name = BDB051359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.421   0.892  -2.631  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -2.860   0.235  -1.753  0.00  0.00    +0.238 C 
ATOM      3  C   LIG    1       -3.611  -0.539  -0.651  0.00  0.00    +0.160 C 
ATOM      4  N   LIG    1       -2.844  -0.701   0.613  0.00  0.00    -0.317 N 
ATOM      5  C   LIG    1       -3.208   0.172   1.740  0.00  0.00    +0.106 C 
ATOM      6  C   LIG    1       -3.675   1.536   1.242  0.00  0.00    +0.019 C 
ATOM      7  C   LIG    1       -4.898   1.421   0.333  0.00  0.00    +0.004 C 
ATOM      8  C   LIG    1       -1.467  -0.922   0.439  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -0.798  -0.556  -0.744  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        0.578  -0.749  -0.889  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.326  -1.331   0.144  0.00  0.00    -0.031 A 
ATOM     12  C   LIG    1        0.667  -1.715   1.319  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -0.709  -1.509   1.461  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -4.990   0.066  -0.371  0.00  0.00    +0.032 C 
ATOM     15  N   LIG    1       -1.500   0.068  -1.782  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -1.005   0.477  -2.561  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.814  -1.557  -0.018  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.549  -0.323  -0.311  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        4.957  -0.585  -0.612  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        5.588   0.795  -0.518  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1        4.695   1.574   0.442  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1        3.575   0.613   0.816  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  11  17
TORSDOF 2