REMARK  Name = BDB054818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.472   0.711  -1.005  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.170   2.016  -1.380  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.723   2.565  -2.470  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.714   2.775  -0.621  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.321   2.215   0.506  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.062   0.884   0.872  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.148   0.138   0.112  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        5.582   0.125  -1.430  0.00  0.00    -0.178 NA
ATOM      9  C   LIG    1        4.826  -1.056  -1.931  0.00  0.00    +0.128 C 
ATOM     10  C   LIG    1        3.592  -0.636  -2.738  0.00  0.00    +0.125 C 
ATOM     11  N   LIG    1        2.707   0.222  -1.943  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        1.366  -0.128  -1.820  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1        0.876  -1.141  -2.312  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        3.368   1.262  -1.144  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1        4.863   1.424  -1.457  0.00  0.00    +0.128 C 
BRANCH   8  17
ATOM     16  C   LIG    1        5.815  -0.330   1.224  0.00  0.00    +0.215 C 
ATOM     17  S   LIG    1        6.769  -0.136  -0.269  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1        7.540   1.082  -0.140  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        7.402  -1.403  -0.558  0.00  0.00    -0.158 OA
ENDBRANCH   8  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  C   LIG    1       -1.737   0.265   2.075  0.00  0.00    +0.094 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.256   0.377   2.041  0.00  0.00    +0.087 A 
ATOM     22  C   LIG    1       -4.041  -0.590   1.196  0.00  0.00    +0.059 A 
ATOM     23  N   LIG    1       -3.413  -1.540   0.397  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1       -2.500  -1.249   0.053  0.00  0.00    +0.146 HD
ATOM     25  C   LIG    1       -4.180  -2.275  -0.606  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -5.540  -2.654  -0.026  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -6.280  -1.417   0.500  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -5.378  -0.489   1.266  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1       -6.008   0.563   2.093  0.00  0.00    +0.270 A 
ATOM     30  O   LIG    1       -7.227   0.686   2.163  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.152   1.399   2.759  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -5.568   2.122   3.337  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -3.793   1.317   2.764  0.00  0.00    -0.174 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4