REMARK  Name = BDB018246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.516  -0.974  -1.011  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        1.016  -2.171  -0.629  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.018  -1.847   0.200  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.140  -0.452   0.333  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.845   0.088  -0.464  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.077   0.265   1.147  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -2.539  -0.010   1.120  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.293   0.538   2.094  0.00  0.00    +0.094 A 
ATOM      9  C   LIG    1       -2.751   1.473   3.107  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -3.499   1.926   3.969  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -1.407   1.782   2.978  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -0.792   2.686   3.936  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -0.605   1.155   2.045  0.00  0.00    +0.099 A 
BRANCH   7  14
ATOM     14  N   LIG    1       -3.105  -0.804   0.103  0.00  0.00    -0.329 N 
ATOM     15  C   LIG    1       -2.767  -0.645  -1.326  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1       -4.032  -1.051  -2.077  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -4.640  -2.092  -1.158  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -4.411  -1.474   0.214  0.00  0.00    +0.105 C 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  20
ATOM     19  C   LIG    1        2.155  -0.521  -3.345  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.644  -0.928  -1.952  0.00  0.00    +0.134 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.792  -0.105  -1.378  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1        4.545  -0.642  -0.317  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        5.599   0.074   0.251  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.918   1.341  -0.229  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.181   1.892  -1.275  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.125   1.177  -1.845  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4