REMARK  Name = BDB012685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.648   0.113  -0.398  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        1.611   1.395   0.091  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.257   1.659   0.295  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -0.123   2.918   0.806  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.873   3.858   1.090  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.220   3.572   0.879  0.00  0.00    +0.022 A 
ATOM      7 CL   LIG    1        0.423   5.399   1.714  0.00  0.00    -0.084 Cl
ATOM      8  C   LIG    1       -0.421   0.469  -0.109  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        2.617   2.330   0.373  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1        0.440  -0.466  -0.508  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.770   0.339  -0.031  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.293   1.148   0.301  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.620  -0.646  -0.590  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -3.925  -0.846  -0.104  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -4.772  -1.808  -0.663  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -4.271  -2.600  -1.673  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -3.013  -2.495  -2.138  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -2.222  -1.536  -1.586  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.474  -0.062   1.024  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -5.622   0.342   1.058  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -3.580   0.139   2.016  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -2.738  -0.353   1.899  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1        2.828  -0.643  -0.781  0.00  0.00    +0.144 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.641  -2.214  -0.024  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        3.409  -1.427   0.392  0.00  0.00    +0.020 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6