REMARK  Name = BDB012504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.295  -1.326   0.152  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        1.345  -0.554   0.909  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1        2.427  -1.555   0.925  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.109  -2.715   0.290  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        3.213  -3.568   0.371  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        4.189  -2.864   1.065  0.00  0.00    +0.083 A 
ATOM      7  N   LIG    1        3.694  -1.616   1.399  0.00  0.00    -0.362 N 
ATOM      8  H   LIG    1        4.205  -0.890   1.888  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1        0.767  -2.626  -0.219  0.00  0.00    +0.253 C 
ATOM     10  O   LIG    1        0.207  -3.527  -0.820  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -4.132  -1.938  -2.053  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.220  -1.130  -1.165  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1       -3.634   0.100  -0.567  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1       -2.723   0.778   0.219  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1       -3.387   1.912   0.639  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1       -4.610   1.907   0.150  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -2.792   2.956   1.502  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1       -1.431   0.328   0.472  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1       -0.995  -0.831  -0.066  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1       -4.765   0.770  -0.607  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1       -1.956  -1.554  -0.915  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1        1.780   0.746   0.255  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1        2.074   1.861   1.059  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        2.487   3.066   0.484  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        2.620   3.164  -0.899  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        3.130   4.648  -1.604  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        2.347   2.068  -1.712  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        1.934   0.863  -1.138  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
TORSDOF 2