REMARK  Name = BDB003001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.354  -3.657  -0.342  0.00  0.00    +0.110 C 
ATOM      2  C   LIG    1       -0.163  -2.744  -0.533  0.00  0.00    +0.221 C 
ATOM      3  N   LIG    1       -0.205  -1.472   0.064  0.00  0.00    -0.235 N 
ATOM      4  O   LIG    1        0.830  -3.162  -1.138  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.036  -0.839   0.280  0.00  0.00    +0.111 C 
ATOM      6  C   LIG    1        1.286   0.443  -0.459  0.00  0.00    +0.210 C 
ATOM      7  O   LIG    1        0.452   0.942  -1.208  0.00  0.00    -0.285 OA
ATOM      8  C   LIG    1        2.590   1.109  -0.294  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        3.570   0.560   0.522  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        4.807   1.208   0.664  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        5.055   2.401  -0.014  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.073   2.953  -0.834  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.320  -0.693   1.252  0.00  0.00    +0.207 C 
ATOM     14  O   LIG    1        4.184  -1.141   1.998  0.00  0.00    -0.286 OA
ATOM     15  C   LIG    1        2.842   2.310  -0.975  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.002  -1.356   1.062  0.00  0.00    +0.114 C 
ATOM     17 CL   LIG    1        1.752  -2.780   2.031  0.00  0.00    -0.077 Cl
ENDBRANCH   3   5
BRANCH   3  18
ATOM     18  C   LIG    1       -1.431  -0.740   0.239  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -1.560   0.150   1.318  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -2.737   0.882   1.507  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1       -3.802   0.748   0.612  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -3.678  -0.120  -0.477  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -2.499  -0.855  -0.662  0.00  0.00    +0.024 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.028   1.548   0.849  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1       -5.201   2.329   1.766  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -5.982   1.325  -0.072  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -6.718   1.912   0.204  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH   3  18
TORSDOF 4