REMARK  Name = BDB036517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.725  -2.223  -0.682  0.00  0.00    +0.188 A 
ATOM      2  C   LIG    1        0.432  -1.407  -0.806  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1        1.086  -1.591   0.399  0.00  0.00    +0.171 A 
ATOM      4  C   LIG    1        2.277  -0.967   0.765  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.853  -0.092  -0.165  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        2.221   0.109  -1.421  0.00  0.00    +0.142 A 
ATOM      7  O   LIG    1        0.391  -2.471   1.163  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.024  -0.549  -1.752  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1       -0.731  -2.892   0.476  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.790  -2.422  -1.555  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -2.488  -3.070  -1.189  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.544  -1.187  -2.401  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -1.655  -0.766  -3.466  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.886  -1.633  -2.711  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.325  -0.036  -0.009  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -2.682   0.152  -1.242  0.00  0.00    +0.153 A 
ATOM     17  C   LIG    1       -2.129   1.389  -1.591  0.00  0.00    +0.071 A 
ATOM     18  C   LIG    1       -2.206   2.442  -0.692  0.00  0.00    +0.128 A 
ATOM     19  F   LIG    1       -1.660   3.619  -1.027  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -2.833   2.291   0.545  0.00  0.00    -0.012 A 
ATOM     21  C   LIG    1       -2.864   3.433   1.516  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1       -3.380   1.042   0.884  0.00  0.00    +0.053 A 
BRANCH  15  23
ATOM     23  O   LIG    1       -3.824  -1.281   0.247  0.00  0.00    -0.490 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -3.835  -1.930   2.580  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -4.661  -1.491   1.384  0.00  0.00    +0.226 C 
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  26
ATOM     26  O   LIG    1        2.873   0.992  -2.257  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1        2.303   1.221  -3.540  0.00  0.00    +0.277 C 
ENDBRANCH   6  26
BRANCH   5  28
ATOM     28  N   LIG    1        4.079   0.575   0.074  0.00  0.00    -0.295 N 
ATOM     29  H   LIG    1        4.178   1.371  -0.553  0.00  0.00    +0.154 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.077   0.432   0.968  0.00  0.00    +0.145 A 
ATOM     31  N   LIG    1        5.974   1.398   1.187  0.00  0.00    -0.159 NA
ATOM     32  N   LIG    1        6.806   0.885   2.103  0.00  0.00    -0.283 N 
ATOM     33  H   LIG    1        7.572   1.463   2.433  0.00  0.00    +0.188 HD
ATOM     34  C   LIG    1        6.502  -0.393   2.458  0.00  0.00    +0.107 A 
ATOM     35  C   LIG    1        5.387  -0.723   1.724  0.00  0.00    +0.064 A 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 8