REMARK  Name = BDB005952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.900  -1.800   1.993  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -3.035  -1.189   0.735  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1       -2.386   0.011   0.429  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -1.571   0.620   1.381  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -0.758   1.899   1.211  0.00  0.00    +0.137 C 
ATOM      6  N   LIG    1        0.659   1.515   1.413  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1        0.957   0.932   2.667  0.00  0.00    +0.221 C 
ATOM      8  C   LIG    1       -0.265   0.526   3.511  0.00  0.00    +0.131 C 
ATOM      9  O   LIG    1        2.097   0.691   3.052  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -1.347  -0.048   2.610  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -2.032  -1.229   2.925  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -1.086   2.924   0.120  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1       -0.122   3.855  -0.311  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.421   4.843  -1.256  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.714   4.954  -1.756  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.090   6.171  -2.911  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.710   4.104  -1.294  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.402   3.117  -0.347  0.00  0.00    +0.007 A 
ENDBRANCH   5  12
BRANCH   6  19
ATOM     19  C   LIG    1        1.499   1.108   0.261  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        1.543  -0.421   0.066  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        2.371  -0.810  -1.157  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        3.785  -0.226  -1.099  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1        3.741   1.297  -0.911  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        2.925   1.686   0.322  0.00  0.00    +0.024 C 
BRANCH  22  25
ATOM     25  N   LIG    1        4.519  -0.579  -2.308  0.00  0.00    -0.313 N 
ATOM     26  H   LIG    1        4.027  -0.556  -3.192  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        5.895  -0.633  -2.330  0.00  0.00    +0.210 C 
ATOM     28  O   LIG    1        6.604  -0.450  -1.347  0.00  0.00    -0.276 OA
ATOM     29  C   LIG    1        6.479  -0.954  -3.681  0.00  0.00    +0.109 C 
ENDBRANCH  22  25
ENDBRANCH   6  19
BRANCH   1  31
ATOM     30  C   LIG    1       -3.649  -3.479   3.516  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -3.613  -2.953   2.192  0.00  0.00    -0.491 OA
ENDBRANCH   1  31
BRANCH   2  32
ATOM     32  O   LIG    1       -3.861  -1.700  -0.237  0.00  0.00    -0.486 OA
BRANCH  32  33
ATOM     33  C   LIG    1       -3.297  -2.866  -0.866  0.00  0.00    +0.167 C 
ATOM     34  C   LIG    1       -2.748  -2.461  -2.232  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -4.414  -3.891  -1.025  0.00  0.00    +0.051 C 
ENDBRANCH  32  33
ENDBRANCH   2  32
TORSDOF 6