REMARK  Name = BDB062741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.145  -0.220  -0.470  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -6.699   0.012  -0.099  0.00  0.00    -0.262 OA
ATOM      3  C   LIG    1       -5.479  -0.025  -0.169  0.00  0.00    +0.313 A 
ATOM      4  C   LIG    1       -4.587   1.167   0.268  0.00  0.00    +0.314 A 
ATOM      5  O   LIG    1       -5.059   2.203   0.712  0.00  0.00    -0.262 OA
ATOM      6  N   LIG    1       -3.227   0.978   0.116  0.00  0.00    -0.320 N 
ATOM      7  H   LIG    1       -2.644   1.745   0.431  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -2.650  -0.180  -0.362  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -3.435  -1.203  -0.736  0.00  0.00    +0.108 A 
ATOM     10  N   LIG    1       -4.799  -1.131  -0.643  0.00  0.00    -0.323 N 
ATOM     11  H   LIG    1       -5.380  -1.911  -0.924  0.00  0.00    +0.169 HD
ENDBRANCH   1   8
BRANCH   1  12
ATOM     12  S   LIG    1       -0.397  -0.163   1.193  0.00  0.00    -0.119 S 
BRANCH  12  13
ATOM     13  C   LIG    1        1.321  -0.062   0.732  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        2.039   1.104   1.006  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.388   1.201   0.653  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.039   0.131   0.024  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        3.318  -1.044  -0.229  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        1.969  -1.140   0.123  0.00  0.00    +0.015 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.502   0.224  -0.326  0.00  0.00    +0.372 C 
ATOM     20  F   LIG    1        5.891   1.489  -0.651  0.00  0.00    -0.204 F 
ATOM     21  F   LIG    1        5.844  -0.552  -1.393  0.00  0.00    -0.204 F 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 4