REMARK  Name = BDB047968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.913  -0.441   0.495  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1       -2.080   0.125  -0.132  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -3.202  -0.478   0.452  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -4.516  -0.164   0.082  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -4.718   0.790  -0.913  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -3.632   1.409  -1.519  0.00  0.00    +0.002 A 
ATOM      7 CL   LIG    1       -5.859  -0.933   0.831  0.00  0.00    -0.081 Cl
ATOM      8  N   LIG    1       -2.742  -1.370   1.389  0.00  0.00    -0.324 N 
ATOM      9  H   LIG    1       -3.327  -1.954   1.971  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.321   1.087  -1.139  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -1.383  -1.360   1.423  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   1  21
ATOM     12  O   LIG    1        0.742   1.565  -1.425  0.00  0.00    -0.285 OA
ATOM     13  C   LIG    1        1.213   0.778  -0.642  0.00  0.00    +0.214 C 
ATOM     14  C   LIG    1        2.623   0.551  -0.379  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        2.651  -0.438   0.597  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1        3.867  -0.887   1.075  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        5.038  -0.322   0.551  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.982   0.680  -0.437  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1        1.379  -0.885   1.001  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1        3.753   1.132  -0.919  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        0.503  -0.199   0.298  0.00  0.00    +0.124 C 
ENDBRANCH   1  21
BRANCH  11  22
ATOM     22  O   LIG    1       -0.750  -2.164   2.271  0.00  0.00    -0.493 OA
ATOM     23  H   LIG    1        0.210  -2.007   2.131  0.00  0.00    +0.294 HD
ENDBRANCH  11  22
TORSDOF 2