REMARK  Name = BDB065178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.605   0.419   0.785  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.829   1.656   1.262  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -0.195   2.527   1.412  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -1.500   2.168   1.061  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.735   2.849   1.097  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -3.711   1.992   0.629  0.00  0.00    +0.115 A 
ATOM      7  N   LIG    1       -3.115   0.783   0.275  0.00  0.00    -0.241 N 
ATOM      8  C   LIG    1       -3.814  -0.300  -0.312  0.00  0.00    +0.421 C 
ATOM      9  O   LIG    1       -4.937  -0.156  -0.765  0.00  0.00    -0.223 OA
ATOM     10  C   LIG    1       -1.743   0.885   0.564  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -0.670  -0.011   0.411  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -5.137   2.231   0.608  0.00  0.00    +0.263 C 
ATOM     13  N   LIG    1       -5.626   3.100  -0.372  0.00  0.00    -0.302 N 
ATOM     14  C   LIG    1       -7.067   3.262  -0.447  0.00  0.00    +0.132 C 
ATOM     15  C   LIG    1       -4.887   3.438  -1.579  0.00  0.00    +0.132 C 
ATOM     16  O   LIG    1       -5.862   1.713   1.454  0.00  0.00    -0.268 OA
ENDBRANCH   6  12
BRANCH   1  17
ATOM     17  N   LIG    1        1.668  -0.501   0.617  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        1.407  -1.400   1.017  0.00  0.00    +0.154 HD
BRANCH  17  23
ATOM     19  C   LIG    1        5.857   0.053   0.901  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        5.296  -1.188   1.205  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        3.912  -1.351   1.117  0.00  0.00    +0.063 A 
ATOM     22 CL   LIG    1        3.255  -2.916   1.468  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        3.061  -0.281   0.763  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        3.655   0.953   0.464  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        5.040   1.128   0.549  0.00  0.00    +0.015 A 
BRANCH  19  28
ATOM     26  C   LIG    1        7.791  -1.431  -0.805  0.00  0.00    +0.132 C 
ATOM     27  N   LIG    1        8.177  -0.596   0.325  0.00  0.00    -0.304 N 
ATOM     28  C   LIG    1        7.318   0.266   1.005  0.00  0.00    +0.246 C 
ATOM     29  O   LIG    1        7.704   1.193   1.712  0.00  0.00    -0.270 OA
ATOM     30  C   LIG    1        9.605  -0.467   0.562  0.00  0.00    +0.132 C 
ENDBRANCH  19  28
ENDBRANCH  17  23
ENDBRANCH   1  17
BRANCH   8  31
ATOM     31  O   LIG    1       -3.063  -1.426  -0.302  0.00  0.00    -0.442 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -3.591  -2.663  -0.847  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1       -2.467  -3.691  -0.640  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1       -3.866  -2.533  -2.349  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1       -4.830  -3.128  -0.074  0.00  0.00    +0.055 C 
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 6