REMARK  Name = BDB064258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.744   1.049  -0.584  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -1.589   1.065   0.508  0.00  0.00    -0.297 N 
ATOM      3  H   LIG    1       -1.183   1.170   1.429  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -1.141   1.090  -1.742  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.490   0.974   0.159  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1        2.969   1.567  -0.998  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.590   1.583  -1.224  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.715   1.010  -0.294  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        1.229   0.395   0.852  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.609   0.381   1.076  0.00  0.00    +0.006 A 
BRANCH   5  11
ATOM     11  C   LIG    1        4.978   0.926   0.399  0.00  0.00    +0.139 C 
BRANCH  11  14
ATOM     12  C   LIG    1        6.198  -2.650   0.204  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        5.729  -1.375   0.851  0.00  0.00    +0.210 C 
ATOM     14  N   LIG    1        5.528  -0.340  -0.030  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1        5.520  -0.538  -1.021  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        5.536  -1.292   2.060  0.00  0.00    -0.276 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  17
ATOM     17  C   LIG    1       -3.087   1.133   0.364  0.00  0.00    +0.106 C 
ATOM     18  C   LIG    1       -3.569   2.318  -0.533  0.00  0.00    +0.192 C 
ATOM     19  O   LIG    1       -4.381   2.861   0.539  0.00  0.00    -0.375 OA
ATOM     20  C   LIG    1       -3.716   2.006   1.498  0.00  0.00    +0.192 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.796  -0.311   0.124  0.00  0.00    -0.020 A 
ATOM     22  C   LIG    1       -3.067  -1.517   0.030  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.688  -2.756  -0.170  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -5.070  -2.826  -0.283  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -5.838  -4.345  -0.527  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -5.832  -1.668  -0.200  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.200  -0.435  -0.000  0.00  0.00    +0.007 A 
ENDBRANCH  17  21
ENDBRANCH   2  17
TORSDOF 5