REMARK  Name = BDB018979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.556  -1.163   0.658  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.738  -0.745   0.263  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.876  -1.517   0.561  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.152  -1.093   0.147  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.329   0.105  -0.557  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.211   0.894  -0.858  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.760  -2.838   1.276  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.424  -2.981   1.984  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.935   0.448  -0.455  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.698  -2.577   1.038  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -6.150   2.045   1.762  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1       -5.464   1.720   0.446  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -4.097   1.116   0.615  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.061  -0.140   0.014  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -2.915  -0.917   0.010  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -1.755  -0.415   0.626  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -1.808   0.865   1.229  0.00  0.00    +0.024 A 
ATOM     18  N   LIG    1       -5.314  -0.429  -0.534  0.00  0.00    -0.274 N 
ATOM     19  C   LIG    1       -5.634  -1.652  -1.221  0.00  0.00    +0.138 C 
ATOM     20  C   LIG    1       -2.973   1.639   1.227  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -6.220   0.611  -0.310  0.00  0.00    +0.227 C 
ATOM     22  O   LIG    1       -7.395   0.648  -0.645  0.00  0.00    -0.275 OA
ENDBRANCH   1  16
BRANCH   5  23
ATOM     23  C   LIG    1        4.670   0.481  -0.958  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.709   0.702  -0.080  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        6.788   1.034  -0.847  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.116   1.358  -0.387  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.523   1.048  -2.166  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.234   0.700  -2.233  0.00  0.00    +0.142 A 
ENDBRANCH   5  23
BRANCH   6  29
ATOM     29  C   LIG    1        2.325   2.193  -1.616  0.00  0.00    +0.372 C 
ATOM     30  F   LIG    1        2.518   1.998  -2.951  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1        1.208   2.972  -1.522  0.00  0.00    -0.204 F 
ENDBRANCH   6  29
TORSDOF 3