REMARK  Name = BDB015793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.007   0.049   0.701  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.536   1.240   0.447  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.876   1.246   0.361  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.673   0.187   0.556  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -2.069  -0.990   0.818  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.701  -1.103   0.928  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.977  -2.147   1.025  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.649  -3.362   0.542  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.469  -4.470   0.705  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.032  -5.742   0.151  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.692  -4.403   1.368  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.451  -5.351   1.552  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -5.075  -3.061   1.874  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -4.259  -2.014   1.700  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.418   0.135   0.810  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        1.645   1.126   0.690  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.286  -0.752  -0.335  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        1.707  -2.074  -0.455  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.450   0.097  -1.493  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.867  -0.947   0.478  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.479   0.324   1.062  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.854   0.950  -0.999  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        4.872   1.415   0.064  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -2.539   2.441   0.114  0.00  0.00    -0.418 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.785   3.423  -0.474  0.00  0.00    +0.202 A 
ATOM     26  C   LIG    1       -1.469   4.566   0.252  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1       -1.869   4.689   1.526  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -0.727   5.594  -0.326  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -0.303   5.483  -1.652  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -0.631   4.346  -2.393  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -1.376   3.327  -1.802  0.00  0.00    +0.168 A 
ATOM     32  F   LIG    1       -1.698   2.250  -2.533  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8