REMARK  Name = BDB038855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -1.444   2.428  -1.089  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -0.153   2.090  -0.843  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1        0.149   0.854  -0.370  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -0.907  -0.026  -0.108  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -0.912  -1.295   0.429  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -0.086  -1.786   0.741  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.187  -1.802   0.498  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.043  -0.816   0.013  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.428  -1.082  -0.017  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.901  -2.319   0.436  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.018  -3.284   0.915  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.641  -3.043   0.958  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -2.238   0.308  -0.355  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.525   1.579  -0.875  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1        1.562   0.541  -0.143  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        2.392   1.454   0.527  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.743   1.174   0.758  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        4.304  -0.025   0.307  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        3.490  -0.940  -0.368  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.140  -0.656  -0.598  0.00  0.00    +0.010 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.752  -0.344   0.567  0.00  0.00    +0.191 C 
BRANCH  21  22
ATOM     22  O   LIG    1        5.870  -1.238   1.665  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1        5.059  -1.158   2.196  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     24  O   LIG    1       -0.797   4.662  -1.815  0.00  0.00    -0.243 OA
ATOM     25  C   LIG    1       -1.650   3.815  -1.617  0.00  0.00    +0.355 C 
BRANCH  25  26
ATOM     26  OXT LIG    1       -2.946   4.092  -1.881  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1       -2.909   5.014  -2.214  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 5