REMARK  Name = BDB020871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.754   0.024  -0.666  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.842  -0.010  -1.764  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1       -0.483  -0.227  -1.488  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.107  -0.281  -2.700  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.236  -0.052  -3.657  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.973  -0.384  -0.191  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.146  -0.371   0.818  0.00  0.00    -0.224 NA
ATOM      8  N   LIG    1        0.998   0.120  -3.066  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.193  -0.164   0.551  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        5.650   2.475  -0.460  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1        5.524   1.012  -0.015  0.00  0.00    +0.065 C 
ATOM     12  O   LIG    1        5.988   0.222  -1.121  0.00  0.00    -0.374 OA
ATOM     13  C   LIG    1        5.399  -1.069  -1.206  0.00  0.00    +0.161 C 
ATOM     14  C   LIG    1        3.913  -0.961  -1.532  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1        3.251   0.266  -0.876  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1        4.061   0.682   0.364  0.00  0.00    +0.043 C 
ATOM     17  C   LIG    1        6.454   0.778   1.182  0.00  0.00    +0.041 C 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1       -2.317  -0.576   0.037  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.421  -0.918   0.991  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.234   0.546  -0.148  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.644   0.073   0.039  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.247  -0.024   1.290  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.707   0.250   2.643  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -6.008   0.210   3.445  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.987  -0.563   2.716  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.543  -0.511   1.420  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -7.290  -0.923   0.335  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.708  -0.829  -0.928  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -5.402  -0.339  -1.065  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.869  -0.272  -2.294  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4