REMARK  Name = BDB003390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.487   0.381   2.915  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.425   0.200   1.704  0.00  0.00    +0.258 A 
ATOM      3  C   LIG    1        2.611   0.350   0.832  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.466   0.096  -0.536  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        3.579   0.225  -1.374  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        4.816   0.603  -0.843  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.950   0.853   0.524  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.157  -0.297  -1.063  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.078  -0.392  -0.260  0.00  0.00    +0.104 A 
ATOM     10  C   LIG    1        3.847   0.727   1.366  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        0.252  -0.157   1.082  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1       -0.533  -0.319   1.697  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1       -1.141  -0.777  -0.772  0.00  0.00    -0.300 N 
ATOM     14  H   LIG    1       -1.115  -1.200  -1.696  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.455  -0.474  -0.351  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -3.535  -1.261  -0.808  0.00  0.00    +0.062 A 
ATOM     17 CL   LIG    1       -3.273  -2.547  -1.940  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -4.844  -1.027  -0.375  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -5.102  -0.000   0.529  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.054   0.791   0.992  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.745   0.554   0.557  0.00  0.00    +0.025 A 
ENDBRANCH  13  15
ENDBRANCH   9  13
TORSDOF 2