REMARK  Name = BDB050694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.622   0.753   0.566  0.00  0.00    +0.095 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.224  -0.107   1.481  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1       -1.627  -0.116   1.407  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -2.379  -0.885   2.303  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.738  -1.692   3.242  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.347  -1.716   3.303  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        0.405  -0.925   2.434  0.00  0.00    +0.007 A 
BRANCH   3   8
ATOM      8  O   LIG    1       -2.233   0.720   0.494  0.00  0.00    -0.456 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.283   0.236  -0.254  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -3.333  -1.057  -0.779  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.414  -1.445  -1.573  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.437  -0.539  -1.852  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.378   0.758  -1.344  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.298   1.148  -0.552  0.00  0.00    +0.046 A 
ENDBRANCH   8   9
ENDBRANCH   3   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.240  -0.016  -0.608  0.00  0.00    +0.285 C 
BRANCH  15  17
ATOM     16  O   LIG    1       -0.203  -1.518  -1.887  0.00  0.00    -0.247 OA
ATOM     17  C   LIG    1        0.167  -0.382  -1.623  0.00  0.00    +0.346 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.396   0.674  -2.246  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -1.094   0.282  -2.811  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
BRANCH  15  20
ATOM     20  O   LIG    1        2.192   0.805  -1.299  0.00  0.00    -0.477 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.490   0.829  -0.878  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        4.332   1.624  -1.663  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        5.689   1.751  -1.355  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        6.207   1.079  -0.253  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        7.876   1.228   0.136  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        5.379   0.286   0.538  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        4.019   0.162   0.227  0.00  0.00    +0.047 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 8