REMARK  Name = BDB063371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.403  -1.127  -0.093  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.101  -0.427  -0.425  0.00  0.00    +0.227 C 
ATOM      3  O   LIG    1        0.141   0.651  -1.017  0.00  0.00    -0.284 OA
ATOM      4  C   LIG    1       -1.178  -1.047  -0.021  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -1.186  -2.215   0.700  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -2.421  -2.749   1.058  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.587  -2.083   0.678  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.511  -0.890  -0.040  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        0.062  -2.876   1.078  0.00  0.00    +0.208 C 
ATOM     10  O   LIG    1        0.014  -3.894   1.759  0.00  0.00    -0.286 OA
ATOM     11  N   LIG    1       -2.309  -0.391  -0.396  0.00  0.00    -0.228 NA
ATOM     12  C   LIG    1        1.343  -2.274   0.611  0.00  0.00    +0.113 C 
ATOM     13 CL   LIG    1        2.754  -3.196   1.026  0.00  0.00    -0.078 Cl
ENDROOT
BRANCH   8  14
ATOM     14  N   LIG    1       -4.646  -0.223  -0.455  0.00  0.00    -0.310 N 
ATOM     15  C   LIG    1       -5.860  -0.214   0.380  0.00  0.00    +0.140 C 
ATOM     16  C   LIG    1       -6.558   1.131   0.075  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -5.907   1.590  -1.232  0.00  0.00    +0.162 C 
ATOM     18  C   LIG    1       -4.461   1.098  -1.072  0.00  0.00    +0.140 C 
BRANCH  16  19
ATOM     19  O   LIG    1       -6.306   2.069   1.125  0.00  0.00    -0.388 OA
ATOM     20  H   LIG    1       -6.781   2.889   0.899  0.00  0.00    +0.210 HD
ENDBRANCH  16  19
BRANCH  17  21
ATOM     21  O   LIG    1       -6.543   0.950  -2.344  0.00  0.00    -0.388 OA
ATOM     22  H   LIG    1       -6.147   0.059  -2.408  0.00  0.00    +0.210 HD
ENDBRANCH  17  21
ENDBRANCH   8  14
BRANCH   1  23
ATOM     23  N   LIG    1        2.521  -0.445  -0.604  0.00  0.00    -0.337 N 
ATOM     24  H   LIG    1        2.208   0.469  -0.971  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.847  -0.359   0.011  0.00  0.00    +0.141 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.672   0.757  -0.645  0.00  0.00    +0.214 C 
ATOM     27  F   LIG    1        4.017   1.947  -0.432  0.00  0.00    -0.241 F 
BRANCH  26  29
ATOM     28  C   LIG    1        6.964  -0.321  -0.354  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        6.110   0.922  -0.107  0.00  0.00    +0.093 C 
ATOM     30  C   LIG    1        6.144   1.301   1.375  0.00  0.00    +0.044 C 
BRANCH  29  31
ATOM     31  O   LIG    1        6.734   1.997  -0.832  0.00  0.00    -0.386 OA
ATOM     32  H   LIG    1        6.125   2.760  -0.786  0.00  0.00    +0.210 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 8