REMARK  Name = BDB018861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.285  -2.160   0.885  0.00  0.00    +0.242 C 
ATOM      2  N   LIG    1        0.917  -1.267   0.025  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1        0.364  -0.910  -1.279  0.00  0.00    +0.140 C 
ATOM      4  O   LIG    1        0.894  -2.983   1.581  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -3.181  -3.046  -0.307  0.00  0.00    +0.137 C 
ATOM      6  C   LIG    1       -3.108  -1.525  -0.470  0.00  0.00    +0.143 C 
ATOM      7  N   LIG    1       -2.029  -1.104   0.407  0.00  0.00    -0.253 N 
ATOM      8  C   LIG    1       -1.984   0.106   1.055  0.00  0.00    +0.404 C 
ATOM      9  O   LIG    1       -1.222   0.336   1.983  0.00  0.00    -0.226 OA
ATOM     10  C   LIG    1       -1.262  -2.240   0.901  0.00  0.00    +0.168 C 
ATOM     11  C   LIG    1       -1.747  -3.423   0.062  0.00  0.00    +0.065 C 
BRANCH   5  13
ATOM     12  C   LIG    1       -3.876  -5.043  -1.382  0.00  0.00    +0.194 C 
ATOM     13  O   LIG    1       -3.607  -3.653  -1.521  0.00  0.00    -0.378 OA
ENDBRANCH   5  13
BRANCH   8  14
ATOM     14  O   LIG    1       -2.854   0.994   0.516  0.00  0.00    -0.445 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.931   2.354   1.013  0.00  0.00    +0.107 C 
ATOM     16  C   LIG    1       -1.606   3.097   0.805  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -3.386   2.390   2.475  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1       -4.009   3.023   0.147  0.00  0.00    +0.055 C 
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1        2.162  -0.723   0.360  0.00  0.00    +0.167 A 
ATOM     20  S   LIG    1        2.811  -0.823   1.942  0.00  0.00    -0.060 S 
ATOM     21  C   LIG    1        4.168   0.096   1.450  0.00  0.00    +0.076 A 
ATOM     22  C   LIG    1        4.045   0.447   0.121  0.00  0.00    +0.080 A 
ATOM     23  N   LIG    1        2.878  -0.005  -0.482  0.00  0.00    -0.224 NA
BRANCH  22  24
ATOM     24  C   LIG    1        5.014   1.249  -0.624  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.338   1.415  -0.193  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        7.238   2.189  -0.933  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.826   2.805  -2.113  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.517   2.644  -2.558  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.618   1.870  -1.819  0.00  0.00    +0.010 A 
ENDBRANCH  22  24
ENDBRANCH   2  19
TORSDOF 6