REMARK  Name = BDB047716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.041  -1.588   1.045  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.275  -0.709   2.031  0.00  0.00    +0.082 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -0.957  -0.073   1.397  0.00  0.00    +0.232 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.823  -1.106   0.932  0.00  0.00    -0.492 OA
BRANCH   4   8
ATOM      5  C   LIG    1       -5.399  -0.203  -1.038  0.00  0.00    -0.046 A 
ATOM      6  C   LIG    1       -4.956  -1.517  -0.848  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -3.755  -1.770  -0.181  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.972  -0.719   0.301  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -3.405   0.592   0.112  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.609   0.847  -0.555  0.00  0.00    +0.007 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -6.703   0.076  -1.750  0.00  0.00    +0.049 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -8.199  -1.064  -0.022  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -7.946   0.199  -0.847  0.00  0.00    +0.099 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -7.890   1.464  -0.013  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -7.462   2.547  -0.380  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -8.436   1.347   1.211  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -8.340   2.240   1.603  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   4   8
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        2.227  -2.097   1.658  0.00  0.00    -0.490 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.411  -1.429   1.496  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1        4.576  -2.102   1.903  0.00  0.00    +0.086 A 
ATOM     21 CL   LIG    1        4.508  -3.701   2.564  0.00  0.00    -0.080 Cl
ATOM     22  C   LIG    1        5.832  -1.502   1.785  0.00  0.00    +0.070 A 
ATOM     23  C   LIG    1        5.935  -0.223   1.247  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1        4.786   0.473   0.868  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        3.529  -0.131   0.988  0.00  0.00    +0.051 A 
BRANCH  23  26
ATOM     26  O   LIG    1        7.192   0.332   1.184  0.00  0.00    -0.456 OA
BRANCH  26  27
ATOM     27  C   LIG    1        7.549   0.953   0.009  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1        8.172   2.199   0.115  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        8.588   2.866  -1.038  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        8.392   2.273  -2.281  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        8.792   2.914  -3.387  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        7.794   1.022  -2.394  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        7.376   0.352  -1.243  0.00  0.00    +0.049 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12