REMARK  Name = BDB047373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.092  -0.461   0.762  0.00  0.00    +0.215 C 
ATOM      2  O   LIG    1       -4.209   0.020   1.832  0.00  0.00    -0.473 OA
ATOM      3  C   LIG    1       -2.950   0.010   1.302  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -2.914  -0.235  -0.057  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -1.712  -0.265  -0.749  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -0.530  -0.049  -0.035  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -0.583   0.198   1.350  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -1.803   0.233   2.030  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.296  -0.389  -0.571  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -7.158   0.231   2.128  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1       -6.398   0.422   0.793  0.00  0.00    +0.013 C 
ATOM     12  C   LIG    1       -7.364   0.090  -0.362  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -6.047   1.929   0.699  0.00  0.00    +0.015 C 
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -5.397  -1.937   1.103  0.00  0.00    +0.350 C 
ATOM     15  O   LIG    1       -5.194  -2.512   2.161  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.976  -2.626   0.094  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -6.105  -3.520   0.479  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   6  18
ATOM     18  O   LIG    1        0.735  -0.049  -0.559  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.857  -0.264  -1.964  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.334  -0.216  -2.332  0.00  0.00    +0.082 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.948   1.154  -2.048  0.00  0.00    +0.232 C 
BRANCH  21  22
ATOM     22  O   LIG    1        4.322   1.171  -2.434  0.00  0.00    -0.490 OA
BRANCH  22  23
ATOM     23  C   LIG    1        5.282   0.838  -1.516  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        6.617   1.039  -1.899  0.00  0.00    +0.083 A 
ATOM     25 CL   LIG    1        7.021   1.687  -3.453  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1        7.670   0.723  -1.032  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        7.409   0.198   0.239  0.00  0.00    -0.037 A 
ATOM     28  C   LIG    1        6.079  -0.014   0.618  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.027   0.302  -0.251  0.00  0.00    +0.047 A 
BRANCH  27  30
ATOM     30  C   LIG    1        8.541  -0.155   1.174  0.00  0.00    +0.148 C 
BRANCH  30  31
ATOM     31  C   LIG    1        8.971  -1.609   1.094  0.00  0.00    +0.394 C 
ATOM     32  F   LIG    1        7.968  -2.450   1.431  0.00  0.00    -0.170 F 
ATOM     33  F   LIG    1        9.992  -1.840   1.953  0.00  0.00    -0.170 F 
ATOM     34  F   LIG    1        9.403  -1.940  -0.142  0.00  0.00    -0.170 F 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 11