REMARK  Name = BDB050703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.151  -2.417   0.645  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.179  -1.876   0.163  0.00  0.00    -0.043 A 
ATOM      3  C   LIG    1       -1.379  -2.383   0.682  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.606  -1.873   0.252  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.640  -0.840  -0.683  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -1.454  -0.342  -1.223  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.227  -0.853  -0.793  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  O   LIG    1       -3.882  -0.403  -1.086  0.00  0.00    -0.456 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.082   0.957  -1.154  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -4.746   1.444  -2.281  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.011   2.808  -2.397  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.626   3.682  -1.380  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.982   3.192  -0.242  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -3.716   1.828  -0.124  0.00  0.00    +0.046 A 
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.663  -1.693   1.907  0.00  0.00    +0.285 C 
BRANCH  15  17
ATOM     16  O   LIG    1        3.750  -2.134   3.163  0.00  0.00    -0.247 OA
ATOM     17  C   LIG    1        2.689  -2.515   2.696  0.00  0.00    +0.346 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.296  -3.789   2.917  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        3.015  -4.163   3.470  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
BRANCH  15  20
ATOM     20  O   LIG    1        2.001  -0.325   1.673  0.00  0.00    -0.477 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.016   0.049   0.845  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        3.022   1.413   0.534  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.996   1.954  -0.309  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        4.978   1.125  -0.841  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        6.181   1.779  -1.880  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        4.990  -0.233  -0.531  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        4.011  -0.770   0.313  0.00  0.00    +0.047 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 8