REMARK  Name = BDB058165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.484   0.159   0.613  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        2.021   0.831   1.687  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.438   1.329   2.343  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        3.368   0.969   1.895  0.00  0.00    +0.260 A 
ATOM      5  O   LIG    1        3.817   1.606   2.841  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        4.240   0.312   0.909  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1        3.627  -0.355  -0.157  0.00  0.00    +0.097 A 
ATOM      8  C   LIG    1        4.460  -0.974  -1.102  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        5.855  -0.924  -0.977  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        6.441  -0.253   0.096  0.00  0.00    +0.002 A 
ATOM     11 CL   LIG    1        3.802  -1.821  -2.460  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.633   0.369   1.043  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1        2.223  -0.407  -0.286  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.818   0.044   0.222  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.219   0.177   1.486  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -0.827   0.214   1.633  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -0.001   0.123   0.509  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -0.580  -0.030  -0.754  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -1.971  -0.066  -0.895  0.00  0.00    +0.007 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.787  -1.366  -0.477  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -4.337  -0.001   0.060  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -4.832   1.131  -0.850  0.00  0.00    +0.046 C 
BRANCH  21  23
ATOM     23  O   LIG    1       -4.968   0.182   1.335  0.00  0.00    -0.385 OA
ATOM     24  H   LIG    1       -5.929   0.133   1.198  0.00  0.00    +0.211 HD
ENDBRANCH  21  23
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 3