REMARK  Name = BDB031345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.227  -0.434  -0.026  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        2.838   0.829   0.421  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.480   1.116   0.503  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1        0.841   2.393   0.932  0.00  0.00    +0.056 C 
ATOM      5  C   LIG    1       -0.622   1.946   1.105  0.00  0.00    +0.115 C 
ATOM      6  N   LIG    1       -0.807   0.725   0.297  0.00  0.00    -0.299 N 
ATOM      7  C   LIG    1        0.494   0.199   0.129  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        0.872  -1.059  -0.300  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        2.237  -1.372  -0.380  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.074   0.232  -0.019  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -3.191   0.511   0.792  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -4.412  -0.005   0.416  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.574  -0.774  -0.730  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.913  -1.134  -0.822  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -6.351  -1.689  -1.538  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -6.601  -0.591   0.274  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -7.788  -0.705   0.517  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.525  -1.064  -1.561  0.00  0.00    +0.029 A 
ATOM     19  N   LIG    1       -5.653   0.109   1.035  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -5.871   0.600   1.886  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -2.273  -0.549  -1.193  0.00  0.00    +0.025 A 
ENDBRANCH   6  10
BRANCH   1  24
ATOM     22  C   LIG    1        6.971  -0.888  -0.120  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        5.706  -0.108   0.137  0.00  0.00    +0.214 C 
ATOM     24  N   LIG    1        4.571  -0.846  -0.145  0.00  0.00    -0.286 N 
ATOM     25  H   LIG    1        4.714  -1.789  -0.483  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        5.755   1.053   0.527  0.00  0.00    -0.276 OA
ENDBRANCH   1  24
TORSDOF 2