REMARK  Name = BDB000246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.241   1.946  -0.665  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.960   0.576  -0.661  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.659   0.105  -0.371  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -1.089  -1.196  -0.281  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        0.243  -1.039   0.083  0.00  0.00    +0.028 A 
ATOM      6  N   LIG    1        0.538   0.329   0.128  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1        1.805   0.933   0.348  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1        1.839   2.075   0.806  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        1.203  -2.116   0.474  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -0.656   1.031  -0.085  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -0.928   2.413  -0.096  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.227   2.853  -0.385  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        3.110   0.313   0.031  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        4.150   0.394   0.965  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        5.398  -0.156   0.665  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        5.606  -0.767  -0.571  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        7.143  -1.445  -0.940  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        4.580  -0.825  -1.516  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        3.330  -0.277  -1.220  0.00  0.00    +0.015 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -4.901   3.632  -0.899  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.540   2.257  -0.963  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  C   LIG    1       -1.824  -2.487  -0.493  0.00  0.00    +0.158 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.426  -3.055   0.779  0.00  0.00    +0.309 C 
ATOM     24  O   LIG    1       -2.042  -2.833   1.917  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.438  -3.927   0.534  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.661  -4.038  -0.409  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5