REMARK  Name = BDB018316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.531   3.923   0.053  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.291   2.489   0.055  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.251   1.639  -0.472  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.325   1.994  -0.950  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.922   0.196  -0.434  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.755  -0.261   0.060  0.00  0.00    -0.003 A 
ATOM      7  C   LIG    1       -1.758   0.712   0.563  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.084   2.021   0.541  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.524  -1.686   0.098  0.00  0.00    -0.010 A 
ATOM     10  C   LIG    1       -2.326  -2.394   1.267  0.00  0.00    +0.053 A 
ATOM     11  S   LIG    1       -2.076  -4.063   0.979  0.00  0.00    -0.104 S 
ATOM     12  C   LIG    1       -2.255  -3.855  -0.709  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -2.493  -2.541  -1.048  0.00  0.00    +0.016 A 
ENDBRANCH   6   9
BRANCH   7  14
ATOM     14  C   LIG    1       -0.470   0.314   1.052  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        0.460  -0.457   0.392  0.00  0.00    +0.117 A 
ATOM     16  N   LIG    1        1.529  -0.571   1.240  0.00  0.00    -0.267 N 
ATOM     17  N   LIG    1        1.354   0.086   2.408  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        0.139   0.628   2.285  0.00  0.00    +0.143 A 
BRANCH  16  19
ATOM     19  C   LIG    1        2.741  -1.346   1.010  0.00  0.00    +0.178 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.645  -0.684   0.000  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1        3.840  -1.252  -1.268  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.678  -0.634  -2.198  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.329   0.554  -1.872  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.144   1.127  -0.615  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.307   0.512   0.317  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   7  14
TORSDOF 4