REMARK  Name = BDB048389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.358  -0.273  -0.324  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1       -1.477   0.599  -0.405  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.567   2.057  -0.684  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -2.951   2.545  -0.510  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -4.048   1.627  -0.883  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.978   0.275  -0.144  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -3.251   3.898  -0.402  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -4.399   4.337  -0.481  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.099   4.842  -0.163  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.575  -0.201  -0.172  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -2.099  -1.454   0.052  0.00  0.00    -0.266 N 
ATOM     12  N   LIG    1       -0.757  -1.520  -0.048  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.912   0.169  -0.504  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.042   1.155  -0.686  0.00  0.00    +0.154 HD
BRANCH  13  17
ATOM     15  C   LIG    1        4.593  -0.370  -0.642  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        3.330   0.241  -0.634  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        2.150  -0.515  -0.527  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        2.277  -1.904  -0.425  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        3.531  -2.525  -0.451  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.690  -1.762  -0.565  0.00  0.00    +0.013 A 
BRANCH  15  24
ATOM     21  C   LIG    1        8.152   0.829  -0.181  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        6.967   0.009  -0.225  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        6.916  -0.775   0.411  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.794   0.503  -0.759  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        5.700   1.611  -1.276  0.00  0.00    -0.270 OA
ENDBRANCH  15  24
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH  11  26
ATOM     26  C   LIG    1       -2.850  -2.662   0.368  0.00  0.00    +0.147 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.042  -2.828   1.846  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -4.291  -2.339   2.536  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.056  -3.815   2.369  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 5