REMARK  Name = BDB055743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.804   1.503  -0.079  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.592   1.762  -0.093  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.073   3.072  -0.083  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.160   4.133  -0.065  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.222   3.896  -0.057  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.698   2.583  -0.065  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.988  -2.889  -0.117  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.666  -1.560  -0.629  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.602  -0.551   0.450  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.185  -0.225   0.973  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.240   0.153  -0.110  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.692  -0.233  -1.473  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -2.417  -1.595  -1.423  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1        1.415   0.616  -0.095  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        0.866  -0.239  -0.084  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        2.786   0.547  -0.194  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        3.550   1.489  -0.365  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.356  -0.830  -0.123  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.541  -1.098  -0.827  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        5.109  -2.372  -0.786  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        4.498  -3.370  -0.036  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        5.043  -4.593   0.004  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        3.333  -3.117   0.682  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        2.760  -1.844   0.644  0.00  0.00    +0.016 A 
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  25
ATOM     25  N   LIG    1        0.650   5.518  -0.052  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        1.866   5.703   0.092  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -0.187   6.423  -0.181  0.00  0.00    -0.126 OA
ENDBRANCH   4  25
TORSDOF 4