REMARK  Name = BDB050024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.648   0.294   0.797  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -3.402   0.266  -0.361  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1       -2.886   0.345  -1.713  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1       -3.670  -0.507  -2.700  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -4.954   0.068  -3.035  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -5.210   0.136  -4.014  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -6.042   0.203  -2.213  0.00  0.00    +0.246 C 
ATOM      8  C   LIG    1       -5.924   0.017  -0.748  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -7.104  -0.199  -0.007  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -7.082  -0.366   1.377  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -5.874  -0.311   2.074  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.689  -0.081   1.360  0.00  0.00    +0.090 A 
ATOM     13  O   LIG    1       -7.130   0.474  -2.716  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -4.723   0.075  -0.023  0.00  0.00    +0.081 A 
ATOM     15  N   LIG    1       -3.411   0.025   1.839  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        1.575   0.952   1.052  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        0.991  -0.156   1.664  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -0.392  -0.358   1.579  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -1.206   0.536   0.873  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1       -0.618   1.659   0.281  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        0.763   1.858   0.366  0.00  0.00    +0.046 A 
BRANCH  16  22
ATOM     22  O   LIG    1        2.905   1.267   1.055  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.783   0.379   1.750  0.00  0.00    +0.230 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.212   0.908   1.629  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.752   0.869   0.193  0.00  0.00    +0.087 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.902  -1.279   0.245  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        5.839  -0.488  -0.379  0.00  0.00    -0.308 NA
ATOM     28  C   LIG    1        6.071  -0.406  -1.824  0.00  0.00    +0.104 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 6