REMARK  Name = BDB036956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.253  -0.759  -0.012  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1        0.925  -0.423   0.170  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1        0.503   0.967   0.312  0.00  0.00    +0.207 C 
ATOM      4  C   LIG    1       -1.009   1.254   0.318  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1       -1.419   2.417   0.315  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -1.877   0.168   0.400  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -1.391  -1.174   0.070  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -0.003  -1.436   0.642  0.00  0.00    +0.130 C 
ATOM      9  O   LIG    1        2.671  -1.908   0.039  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.326   0.427   0.409  0.00  0.00    +0.163 C 
ATOM     11  C   LIG    1       -4.107  -0.486   1.369  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1       -3.598  -1.086   2.314  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -5.462  -0.573   1.141  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.974  -1.174   1.773  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.151  -0.155   0.031  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.330  -0.455  -0.130  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.397   0.716  -0.945  0.00  0.00    +0.098 C 
ATOM     18  C   LIG    1       -3.924   0.343  -0.995  0.00  0.00    +0.041 C 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     19  O   LIG    1        3.023   0.332  -0.252  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1        4.934   1.650  -0.701  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        4.452   0.209  -0.471  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1        4.755  -0.614  -1.728  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        5.160  -0.352   0.767  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 3