REMARK  Name = BDB015713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.588  -1.333  -0.769  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -2.025  -0.146  -0.314  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.099   0.813  -0.114  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.236   0.603  -0.376  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.563  -0.657  -0.810  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.315  -1.633  -1.051  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.593   2.122   0.383  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.813   2.544  -0.003  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.349   3.754   0.414  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.671   4.126  -0.065  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.666   4.619   1.264  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.082   5.705   1.655  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.330   4.151   1.714  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.843   2.976   1.294  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.877  -1.045  -1.182  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        1.795  -2.011  -1.511  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.027  -0.992   0.058  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        2.905  -2.230   0.794  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.967   0.296   0.715  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.531  -1.049  -0.911  0.00  0.00    +0.189 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.767  -1.026  -0.015  0.00  0.00    +0.027 C 
BRANCH  21  22
ATOM     22  C   LIG    1        7.085  -1.202  -0.790  0.00  0.00    -0.016 C 
ATOM     23  C   LIG    1        7.338  -0.059  -1.774  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        8.254  -1.309   0.191  0.00  0.00    +0.007 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  25
ATOM     25  O   LIG    1       -2.501  -2.347  -1.032  0.00  0.00    -0.419 OA
BRANCH  25  30
ATOM     26  C   LIG    1       -5.769  -2.526   2.613  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -5.423  -2.189   1.194  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1       -4.125  -2.403   0.718  0.00  0.00    +0.170 A 
ATOM     29  F   LIG    1       -3.195  -2.899   1.548  0.00  0.00    -0.201 F 
ATOM     30  C   LIG    1       -3.783  -2.109  -0.602  0.00  0.00    +0.185 A 
ATOM     31  C   LIG    1       -4.757  -1.627  -1.476  0.00  0.00    +0.086 A 
ATOM     32 CL   LIG    1       -4.391  -1.270  -3.124  0.00  0.00    -0.080 Cl
ATOM     33  C   LIG    1       -6.061  -1.420  -1.019  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1       -6.394  -1.701   0.310  0.00  0.00    +0.008 A 
ENDBRANCH  25  30
ENDBRANCH   1  25
TORSDOF 8