REMARK  Name = BDB046108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.233  -0.335   0.766  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.525  -1.086  -0.167  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -1.903  -1.272   0.028  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -2.532  -0.702   1.132  0.00  0.00    +0.133 A 
ATOM      5  C   LIG    1       -1.796   0.016   2.068  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -0.423   0.203   1.881  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.286   1.227   2.316  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.525   0.549   1.324  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        1.625  -0.161   0.558  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        1.995  -0.624  -0.275  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.923   0.536   0.822  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        4.621  -0.634   0.494  0.00  0.00    +0.054 A 
ATOM     13 CL   LIG    1        3.951  -2.214   0.688  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        5.936  -0.552   0.022  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        6.553   0.692  -0.108  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1        8.170   0.785  -0.687  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        5.875   1.859   0.236  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        4.562   1.781   0.705  0.00  0.00    +0.016 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1        0.130  -1.679  -1.365  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        1.297  -1.524  -1.685  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -0.693  -2.443  -2.105  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -0.133  -2.770  -2.841  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   2  19
BRANCH   4  23
ATOM     23  O   LIG    1       -3.868  -0.907   1.366  0.00  0.00    -0.424 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.757  -0.227   0.541  0.00  0.00    +0.323 A 
ATOM     25  N   LIG    1       -4.308   0.725  -0.300  0.00  0.00    -0.203 NA
ATOM     26  C   LIG    1       -5.241   1.346  -1.043  0.00  0.00    +0.118 A 
ATOM     27  C   LIG    1       -6.583   1.055  -0.975  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -6.932   0.069  -0.083  0.00  0.00    +0.118 A 
ATOM     29  N   LIG    1       -6.044  -0.586   0.687  0.00  0.00    -0.203 NA
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6