REMARK  Name = BDB023724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.235  -0.085   0.803  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -1.037  -0.764  -0.380  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.028  -1.830  -0.462  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1       -0.354  -2.604  -1.736  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -1.040  -1.561  -2.611  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.855  -0.771  -1.588  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.425  -0.253   1.731  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.360  -1.198  -0.486  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        2.012  -0.891   0.677  0.00  0.00    -0.278 N 
ATOM     10  H   LIG    1        1.391  -0.539   1.412  0.00  0.00    +0.152 HD
ATOM     11  C   LIG    1        3.141  -0.045   0.293  0.00  0.00    +0.325 C 
ATOM     12  O   LIG    1        3.184  -0.189  -1.156  0.00  0.00    -0.352 OA
ATOM     13  N   LIG    1        1.981  -0.845  -1.579  0.00  0.00    -0.069 NA
BRANCH  11  14
ATOM     14  C   LIG    1        4.417  -0.608   0.926  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.479  -0.848   2.314  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        5.643  -1.343   2.908  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        6.762  -1.605   2.124  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1        8.336  -2.276   2.926  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        6.728  -1.375   0.751  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        5.564  -0.879   0.157  0.00  0.00    +0.011 A 
ENDBRANCH  11  14
BRANCH  11  21
ATOM     21  C   LIG    1        2.950   1.465   0.625  0.00  0.00    +0.455 C 
ATOM     22  F   LIG    1        2.746   1.662   1.954  0.00  0.00    -0.165 F 
ATOM     23  F   LIG    1        1.872   1.994  -0.008  0.00  0.00    -0.165 F 
ATOM     24  F   LIG    1        4.023   2.216   0.271  0.00  0.00    -0.165 F 
ENDBRANCH  11  21
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1       -1.864  -2.171  -3.590  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -1.283  -2.693  -4.171  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -2.346   0.964   0.996  0.00  0.00    +0.146 C 
BRANCH  27  32
ATOM     28  C   LIG    1       -6.900   0.202  -1.236  0.00  0.00    +0.069 C 
ATOM     29  C   LIG    1       -5.638   0.146  -0.467  0.00  0.00    +0.081 A 
ATOM     30  N   LIG    1       -5.368  -0.910   0.307  0.00  0.00    -0.083 NA
ATOM     31  O   LIG    1       -4.141  -0.651   0.884  0.00  0.00    -0.359 OA
ATOM     32  C   LIG    1       -3.665   0.547   0.438  0.00  0.00    +0.150 A 
ATOM     33  C   LIG    1       -4.597   1.100  -0.411  0.00  0.00    +0.071 A 
ENDBRANCH  27  32
BRANCH  27  34
ATOM     34  C   LIG    1       -1.923   2.416   0.654  0.00  0.00    +0.002 C 
ATOM     35  C   LIG    1       -0.898   2.941   1.669  0.00  0.00    +0.008 C 
ATOM     36  C   LIG    1       -1.385   2.623  -0.762  0.00  0.00    +0.008 C 
ENDBRANCH  27  34
ENDBRANCH   1  27
TORSDOF 7