REMARK  Name = BDB036965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.735  -0.370  -0.195  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        2.342  -0.164  -0.100  0.00  0.00    +0.098 A 
ATOM      3  C   LIG    1        1.841   0.581   0.967  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        0.382   0.776   1.046  0.00  0.00    +0.262 A 
ATOM      5  N   LIG    1       -0.371   0.227   0.016  0.00  0.00    -0.287 N 
ATOM      6  C   LIG    1        0.230  -0.541  -0.953  0.00  0.00    +0.203 A 
ATOM      7  O   LIG    1       -0.099   1.410   1.983  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1        2.695   1.142   1.924  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.072   0.969   1.803  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1        1.497  -0.752  -1.063  0.00  0.00    -0.235 NA
ATOM     11  C   LIG    1        4.590   0.231   0.737  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -1.828   0.384   0.066  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -2.504  -0.912   0.526  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -1.906  -1.869   1.010  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -3.870  -0.954   0.358  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.313  -1.815   0.652  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.610  -0.190  -0.510  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.757  -0.506  -0.811  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.947   1.059  -1.045  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -2.454   0.847  -1.250  0.00  0.00    +0.044 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  N   LIG    1        4.277  -1.012  -1.328  0.00  0.00    -0.356 N 
ATOM     22  H   LIG    1        5.120  -1.541  -1.134  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        3.551  -1.565  -1.788  0.00  0.00    +0.142 HD
ENDBRANCH   1  21
TORSDOF 2