REMARK  Name = BDB021334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.494  -0.202   0.035  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.839   0.331   1.178  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.509   0.675   1.028  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.072   1.136   2.249  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.173   1.065   3.073  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.188   0.531  -0.191  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.433   0.039  -1.229  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.264   0.572   2.404  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.760  -0.309  -1.092  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.306  -3.089   0.123  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.308  -1.968   0.036  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        3.912  -0.614   0.002  0.00  0.00    -0.009 A 
ATOM     13  C   LIG    1        4.890   0.393  -0.065  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        6.249   0.066  -0.113  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        6.639  -1.274  -0.097  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        5.676  -2.283  -0.024  0.00  0.00    +0.005 A 
BRANCH  14  17
ATOM     17  C   LIG    1        7.236   1.102  -0.186  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1        8.036   1.940  -0.255  0.00  0.00    -0.191 NA
ENDBRANCH  14  17
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  C   LIG    1        1.240   1.432   4.455  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        1.253   1.740   5.575  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1       -1.512   0.912  -0.243  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -1.825   1.595   0.437  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.207   1.025  -1.514  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.675   1.217  -1.262  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.494   0.184  -0.817  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.158  -1.218  -0.466  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.571  -1.792  -0.366  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.501  -0.715  -0.107  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.841   0.398  -0.558  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.436   1.633  -0.723  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.637   2.683  -1.175  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.277   2.470  -1.438  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -3.536   3.509  -1.850  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6