REMARK  Name = BDB012518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.289  -0.511  -0.234  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.711   0.586  -0.470  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -1.877   0.020   0.241  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.620  -1.181   0.831  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -2.790  -1.590   1.465  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -3.739  -0.605   1.250  0.00  0.00    +0.090 A 
ATOM      7  N   LIG    1       -3.159   0.388   0.482  0.00  0.00    -0.351 N 
ATOM      8  C   LIG    1       -3.815   1.595   0.043  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -0.259  -1.561   0.571  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1        0.259  -2.592   0.967  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        3.591   1.557  -3.338  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        3.178   0.539  -2.323  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.210  -0.467  -1.925  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.337  -0.417  -2.413  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        3.793  -1.419  -1.004  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1        4.731  -2.441  -0.563  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1        2.516  -1.427  -0.461  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        1.574  -0.521  -0.788  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        1.952   0.482  -1.775  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1       -0.300   1.939   0.089  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        0.286   2.068   1.361  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.640   3.323   1.861  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.408   4.463   1.097  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.841   6.010   1.711  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.179   4.359  -0.162  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.534   3.104  -0.663  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   5  27
ATOM     27  C   LIG    1       -2.993  -2.880   2.281  0.00  0.00    +0.021 C 
ATOM     28  C   LIG    1       -2.748  -4.210   1.620  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -4.149  -3.788   1.952  0.00  0.00    +0.009 C 
ENDBRANCH   5  27
TORSDOF 3