REMARK  Name = BDB043254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.842   2.284  -1.388  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.399   1.040  -0.752  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -2.540   0.096  -0.162  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -3.099  -1.049   0.417  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -2.179  -2.019   1.033  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -0.846  -1.713   0.946  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -0.233  -2.361   1.417  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -0.368  -0.563   0.362  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -2.575  -3.034   1.595  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -4.479  -1.271   0.423  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -5.323  -0.333  -0.164  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -1.150   0.324  -0.166  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -4.787   0.816  -0.748  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        1.105  -0.362   0.377  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        1.605   0.945   0.390  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.983   1.173   0.406  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.882   0.098   0.407  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        3.377  -1.210   0.369  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        1.997  -1.441   0.354  0.00  0.00    +0.012 A 
BRANCH  17  20
ATOM     20  C   LIG    1        5.369   0.345   0.394  0.00  0.00    +0.113 C 
BRANCH  20  21
ATOM     21  N   LIG    1        5.874   0.459  -0.968  0.00  0.00    -0.326 NA
ATOM     22  H   LIG    1        5.377   1.214  -1.440  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        5.633  -0.387  -1.482  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   8  14
TORSDOF 3