REMARK  Name = BDB020853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.912  -0.203   0.189  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        1.109   0.571   1.073  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1       -0.249   0.554   0.876  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.772   1.311   1.882  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.197   1.809   2.617  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.861  -0.163  -0.154  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.131  -0.893  -0.953  0.00  0.00    -0.224 NA
ATOM      8  N   LIG    1        1.388   1.341   2.105  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.236  -0.889  -0.761  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.532  -1.296  -0.452  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1        6.073  -1.204  -0.527  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1        5.466  -1.710   0.712  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1        3.939  -1.685   0.621  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1        3.432  -0.271   0.302  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        4.143   0.281  -0.943  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        5.662   0.181  -0.793  0.00  0.00    +0.084 C 
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1       -2.228  -0.134  -0.328  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.457  -0.878  -0.989  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.858   1.092  -0.816  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.333   0.875  -0.984  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -5.188   0.645   0.091  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.912   0.609   1.548  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -6.236   0.025   2.040  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -7.261   0.285   1.054  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -6.554   0.478  -0.104  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -7.133   0.527  -1.356  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -6.296   0.742  -2.450  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.918   0.912  -2.257  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -4.148   1.125  -3.334  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4