REMARK  Name = BDB018322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.127   4.333  -0.174  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.479   3.041  -0.333  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.257   1.916  -0.577  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.479   1.912  -0.686  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.516   0.638  -0.724  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.177   0.590  -0.604  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.417   1.820  -0.331  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.101   2.975  -0.215  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.549  -0.738  -0.811  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.460  -1.711   0.199  0.00  0.00    +0.049 A 
ATOM     11 CL   LIG    1       -2.107  -1.451   1.782  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -0.822  -2.931  -0.049  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -0.270  -3.192  -1.302  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.353  -2.236  -2.312  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -0.988  -1.016  -2.069  0.00  0.00    +0.010 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1        0.007   1.800  -0.205  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        0.733   1.099   0.729  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        2.049   1.307   0.417  0.00  0.00    -0.267 N 
ATOM     19  N   LIG    1        2.222   2.179  -0.602  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        0.974   2.463  -0.987  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.200   0.704   1.075  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.263  -0.784   0.828  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        2.991  -1.694   1.860  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.039  -3.069   1.621  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.358  -3.547   0.352  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.627  -2.653  -0.682  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.579  -1.278  -0.447  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 4