REMARK  Name = BDB057951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.568   1.318  -0.417  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.882   0.662  -1.450  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        0.474   0.340  -1.320  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.163   0.671  -0.154  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.485   1.327   0.876  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.869   1.648   0.749  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.034   1.667  -0.568  0.00  0.00    +0.119 C 
BRANCH   7  10
ATOM      8  C   LIG    1       -5.579  -0.378   0.115  0.00  0.00    +0.125 C 
ATOM      9  C   LIG    1       -5.302   0.841  -0.793  0.00  0.00    +0.100 C 
ATOM     10  N   LIG    1       -3.868   0.477  -0.773  0.00  0.00    -0.297 NA
ATOM     11  C   LIG    1       -4.088  -0.252   0.498  0.00  0.00    +0.100 C 
BRANCH   8  13
ATOM     12  O   LIG    1       -6.787  -1.795  -1.544  0.00  0.00    -0.251 OA
ATOM     13  C   LIG    1       -6.056  -1.675  -0.568  0.00  0.00    +0.310 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -5.618  -2.804   0.044  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1       -5.995  -3.522  -0.508  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        2.481   0.417   0.104  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.215  -0.279  -0.898  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.621  -0.473  -0.385  0.00  0.00    -0.009 A 
ATOM     19  C   LIG    1        4.916  -1.531   0.489  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        6.211  -1.705   0.988  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1        6.490  -3.038   2.052  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        7.225  -0.815   0.620  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        8.848  -0.967   1.192  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.936   0.248  -0.241  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        5.641   0.421  -0.737  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 7