REMARK  Name = BDB003659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.970  -0.802   0.447  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1        2.450   0.033  -0.582  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1        3.818   0.376  -0.712  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        4.741  -0.176   0.208  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        6.109   0.148   0.082  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        6.564   1.005  -0.920  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        5.660   1.562  -1.813  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.264  -1.028   1.225  0.00  0.00    +0.145 A 
ATOM      9  C   LIG    1        4.303   1.254  -1.709  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.901  -1.335   1.346  0.00  0.00    +0.112 A 
ATOM     11 CL   LIG    1        2.393  -2.384   2.634  0.00  0.00    -0.077 Cl
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -0.220  -0.191   0.800  0.00  0.00    +0.085 C 
ATOM     13  N   LIG    1        0.602  -1.153   0.530  0.00  0.00    -0.255 NA
BRANCH  12  14
ATOM     14  C   LIG    1       -1.698  -0.449   0.878  0.00  0.00    +0.062 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.380   0.248  -0.301  0.00  0.00    +0.090 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.846   0.109  -0.390  0.00  0.00    -0.302 NA
BRANCH  16  18
ATOM     17  C   LIG    1       -5.639  -1.406  -1.251  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -4.227  -1.284  -0.687  0.00  0.00    +0.081 C 
ENDBRANCH  16  18
BRANCH  16  19
ATOM     19  C   LIG    1       -4.573   0.641   0.774  0.00  0.00    +0.081 C 
ATOM     20  C   LIG    1       -4.291   2.115   1.056  0.00  0.00    +0.020 C 
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  13
BRANCH   2  21
ATOM     21  O   LIG    1        1.532   0.521  -1.488  0.00  0.00    -0.504 OA
ATOM     22  H   LIG    1        1.892   0.338  -2.373  0.00  0.00    +0.292 HD
ENDBRANCH   2  21
BRANCH   8  23
ATOM     23  O   LIG    1        5.172  -1.561   2.115  0.00  0.00    -0.505 OA
ATOM     24  H   LIG    1        4.673  -2.130   2.732  0.00  0.00    +0.292 HD
ENDBRANCH   8  23
TORSDOF 8