REMARK  Name = BDB020866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.202  -0.691   0.053  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.750   0.592   0.469  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.603   0.764   0.623  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.762   2.069   0.990  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.411   2.654   1.083  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.541  -0.255   0.406  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.120  -1.429   0.016  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.369   1.721   0.754  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.238  -1.615  -0.153  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        5.708  -0.197  -0.385  0.00  0.00    -0.181 NA
ATOM     11  C   LIG    1        4.501   0.662  -0.557  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1        3.348  -0.141  -1.168  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1        2.615  -1.006  -0.161  0.00  0.00    -0.038 C 
ATOM     14  C   LIG    1        3.228  -1.984   0.534  0.00  0.00    -0.021 C 
ATOM     15  C   LIG    1        4.691  -2.321   0.433  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        5.623  -1.147   0.758  0.00  0.00    +0.113 C 
BRANCH  10  18
ATOM     17  C   LIG    1        7.313   1.675   0.740  0.00  0.00    +0.215 C 
ATOM     18  S   LIG    1        7.211   0.553  -0.642  0.00  0.00    +0.029 S 
ATOM     19  O   LIG    1        7.122   1.341  -1.852  0.00  0.00    -0.158 OA
ATOM     20  O   LIG    1        8.246  -0.446  -0.481  0.00  0.00    -0.158 OA
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -2.880   0.015   0.603  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.118   0.763   1.244  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.864  -1.055   0.602  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.242  -0.461   0.574  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.775   0.128  -0.570  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.167   0.342  -1.906  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.419   0.749  -2.683  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.407   1.255  -1.756  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.040   0.702  -0.557  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.828   0.723   0.576  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.318   0.134   1.732  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -6.042  -0.446   1.723  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.577  -0.982   2.861  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5