REMARK  Name = BDB029469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.223  -1.702  -0.205  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.173  -1.067  -0.225  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.808  -0.343  -1.330  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.537  -0.306  -2.032  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.031   0.787  -1.287  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -3.236   1.709  -2.071  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.937   0.799  -0.234  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.742  -0.030  -0.737  0.00  0.00    +0.121 C 
ATOM      9  N   LIG    1        0.408   0.540  -0.034  0.00  0.00    -0.329 N 
ATOM     10  C   LIG    1        0.106   1.878   0.477  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -1.292   2.181  -0.062  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.528   0.293   1.092  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -3.209  -1.060   0.937  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        1.679   0.014  -0.072  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        2.736   0.590   0.655  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        4.034   0.060   0.636  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        4.298  -1.079  -0.124  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1        3.276  -1.684  -0.854  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        1.985  -1.137  -0.819  0.00  0.00    +0.025 A 
BRANCH  17  20
ATOM     20  N   LIG    1        5.652  -1.644  -0.152  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        6.530  -1.072   0.511  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        5.839  -2.660  -0.836  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH   9  14
TORSDOF 2