REMARK  Name = BDB015797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.700  -0.679   0.383  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -2.017   0.543   0.833  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.118   1.524   0.614  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.049   1.306  -0.085  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.261   0.014  -0.493  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.597  -0.991  -0.315  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.490   2.865   1.130  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.554   3.665   1.680  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.856   4.924   2.181  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        0.220   5.719   2.751  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.147   5.446   2.160  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.469   6.557   2.573  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.190   4.557   1.589  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.863   3.349   1.114  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.383  -0.393  -1.260  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.222  -1.378  -1.484  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.878  -0.271  -0.475  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        3.080  -1.519   0.227  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.949   1.003   0.211  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.008  -0.199  -1.881  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1        3.890  -1.433  -2.769  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1        5.441  -0.032  -1.383  0.00  0.00    +0.033 C 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  23
ATOM     23  O   LIG    1       -2.665  -1.653   0.604  0.00  0.00    -0.420 OA
BRANCH  23  26
ATOM     24  C   LIG    1       -3.762  -3.366  -1.384  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -2.758  -3.836  -0.373  0.00  0.00    -0.002 A 
ATOM     26  C   LIG    1       -2.222  -2.955   0.580  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -1.306  -3.416   1.533  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1       -0.835  -2.585   2.474  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -0.876  -4.736   1.529  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1       -1.386  -5.599   0.570  0.00  0.00    +0.127 A 
ATOM     31  F   LIG    1       -0.981  -6.876   0.553  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -2.318  -5.168  -0.373  0.00  0.00    +0.045 A 
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 6