REMARK  Name = BDB047537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.811  -0.411   0.055  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.368  -0.400   0.496  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -2.651  -1.412  -0.156  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.307  -1.651   0.109  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.650  -0.851   1.049  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1       -1.376   0.168   1.706  0.00  0.00    +0.083 A 
ATOM      7 CL   LIG    1       -0.616   1.188   2.883  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1       -3.531  -2.180  -1.093  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -2.734   0.391   1.439  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -4.686  -1.192  -1.279  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -5.580   0.915  -0.108  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.344   0.601   1.728  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -6.195   1.452   1.203  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -4.739   2.007  -0.739  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -4.095   2.865  -0.159  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.769   1.979  -2.085  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -4.194   2.729  -2.347  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   5  18
ATOM     18  O   LIG    1        0.673  -0.970   1.388  0.00  0.00    -0.490 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.469  -2.004   0.804  0.00  0.00    +0.235 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.036  -1.585  -0.553  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.172  -0.632  -0.428  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.165   0.730  -0.214  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        2.123   1.753  -0.019  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        4.463   1.154  -0.174  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        5.202   0.015  -0.369  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        4.472  -1.075  -0.529  0.00  0.00    -0.214 NA
BRANCH  25  27
ATOM     27  C   LIG    1        6.655   0.163  -0.376  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        7.465  -0.964  -0.584  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.858  -0.853  -0.596  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.459   0.388  -0.399  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.670   1.517  -0.191  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.277   1.405  -0.179  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 9