REMARK  Name = BDB047067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.700  -0.487  -0.446  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -3.420  -0.060  -0.081  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -3.219   1.181   0.505  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -1.832   1.329   0.739  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1       -1.208   0.173   0.308  0.00  0.00    +0.195 A 
ATOM      6  N   LIG    1       -4.229   2.043   0.773  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -5.461   1.597   0.455  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -2.186  -0.659  -0.178  0.00  0.00    -0.324 N 
ATOM      9  H   LIG    1       -2.025  -1.593  -0.538  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -5.753   0.377  -0.137  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.096  -2.731  -0.896  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -4.879  -1.813  -1.073  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -5.951  -1.901  -1.885  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -6.365  -1.052  -2.125  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  O   LIG    1        0.055  -0.254   0.280  0.00  0.00    -0.473 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.029   0.638   0.819  0.00  0.00    +0.266 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.381  -0.021   0.697  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1        3.160   0.164  -0.455  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        4.408  -0.456  -0.569  0.00  0.00    +0.149 A 
ATOM     20  C   LIG    1        4.863  -1.308   0.442  0.00  0.00    +0.083 A 
ATOM     21 CL   LIG    1        6.375  -2.129   0.309  0.00  0.00    -0.080 Cl
ATOM     22  C   LIG    1        4.088  -1.508   1.584  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        2.853  -0.867   1.711  0.00  0.00    +0.008 A 
BRANCH  19  24
ATOM     24  O   LIG    1        5.139  -0.287  -1.714  0.00  0.00    -0.404 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.840   0.951  -1.692  0.00  0.00    +0.575 C 
ATOM     26  F   LIG    1        6.537   1.115  -0.547  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        4.982   1.985  -1.840  0.00  0.00    -0.133 F 
ATOM     28  F   LIG    1        6.709   0.978  -2.726  0.00  0.00    -0.133 F 
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 7