REMARK  Name = BDB012538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.834  -0.672   0.340  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.191   0.002  -0.529  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -1.413  -0.674  -0.045  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.179  -1.559   0.963  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.402  -2.112   1.351  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -3.358  -1.531   0.529  0.00  0.00    +0.023 A 
ATOM      7  N   LIG    1       -2.740  -0.638  -0.325  0.00  0.00    -0.348 N 
ATOM      8  C   LIG    1       -3.388   0.201  -1.303  0.00  0.00    +0.149 C 
ATOM      9  C   LIG    1        0.228  -1.591   1.253  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1        0.735  -2.299   2.107  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        4.613   1.389  -2.167  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        4.048   0.585  -1.039  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        5.026   0.045  -0.046  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        6.224   0.285  -0.171  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        4.479  -0.723   0.975  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1        5.358  -1.294   1.984  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1        3.115  -0.951   1.091  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        2.212  -0.459   0.222  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        2.738   0.327  -0.887  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1       -0.262   1.511  -0.354  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -0.226   2.112   0.917  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.308   3.499   1.055  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.433   4.301  -0.076  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -0.537   6.010   0.092  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.479   3.727  -1.344  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.397   2.339  -1.483  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   6  27
ATOM     27  C   LIG    1       -4.883  -1.819   0.609  0.00  0.00    +0.036 C 
ATOM     28  C   LIG    1       -5.540  -2.567  -0.521  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -5.362  -3.234   0.809  0.00  0.00    +0.010 C 
ENDBRANCH   6  27
TORSDOF 3