REMARK  Name = BDB029759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.027   3.038  -1.976  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.871   3.117  -1.214  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.252   3.876  -1.488  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        3.365   3.965  -2.711  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.147   0.293  -0.463  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.322   1.422  -0.588  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.889   1.850  -1.847  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        4.309   1.186  -2.995  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        3.896   1.594  -4.206  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        5.139   0.071  -2.881  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        5.664  -0.776  -4.287  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.553  -0.380  -1.623  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        7.386  -1.929   3.372  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.528  -1.112   2.552  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.526  -1.058   1.184  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.544  -0.142   0.866  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.960   0.353   2.014  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.574  -0.250   3.008  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.211   1.913  -0.579  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.764   1.416   0.129  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        0.429   0.795  -1.607  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.938  -0.502  -1.213  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        0.518   1.281  -2.965  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -1.256   0.974  -1.019  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.265   0.160  -1.843  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -3.701   0.649  -1.611  0.00  0.00    +0.113 C 
ATOM     27  N   LIG    1       -4.385   0.088  -0.441  0.00  0.00    -0.301 N 
ATOM     28  C   LIG    1       -5.689   0.568  -0.212  0.00  0.00    +0.219 C 
ATOM     29  O   LIG    1       -6.181   1.367  -1.031  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1       -3.597  -0.714   0.482  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -2.708  -1.748  -0.208  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1       -2.216  -1.348  -1.595  0.00  0.00    +0.008 C 
BRANCH  28  33
ATOM     33  C   LIG    1       -6.534   0.146   0.998  0.00  0.00    +0.075 C 
ATOM     34  C   LIG    1       -6.044   0.296   2.451  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -6.833  -0.985   2.793  0.00  0.00    +0.001 C 
ATOM     36  C   LIG    1       -6.852  -1.335   1.292  0.00  0.00    +0.013 C 
ENDBRANCH  28  33
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7