REMARK  Name = BDB050690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.103  -0.867   1.318  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        1.205  -1.437   3.433  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        0.723  -1.796   2.368  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1        0.697  -3.106   2.010  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        0.316  -3.291   1.129  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        0.428   0.509   1.566  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        1.536   0.894   0.864  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.772   0.917   1.507  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        3.904   1.335   0.806  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        3.784   1.741  -0.523  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        5.180   2.256  -1.388  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        2.541   1.739  -1.157  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        1.408   1.320  -0.457  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -1.425  -1.003   1.403  0.00  0.00    +0.092 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.101  -0.567   0.118  0.00  0.00    -0.029 A 
ATOM     16  C   LIG    1       -2.224  -1.401  -1.007  0.00  0.00    +0.021 A 
ATOM     17 BR   LIG    1       -1.563  -3.183  -1.024  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1       -2.838  -0.935  -2.174  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -3.331   0.368  -2.235  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.210   1.207  -1.132  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.599   0.745   0.035  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6