REMARK  Name = BDB059278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.046   0.678  -1.304  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -1.476  -0.639  -1.334  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.024  -1.316  -0.713  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.755   1.632  -1.614  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        2.309   3.759   0.747  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        1.973   2.422   0.154  0.00  0.00    -0.046 A 
ATOM      7  C   LIG    1        0.676   2.160  -0.305  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        0.346   0.902  -0.825  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.327  -0.093  -0.897  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        2.621   0.152  -0.428  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        2.937   1.403   0.105  0.00  0.00    +0.049 A 
BRANCH  10  12
ATOM     12  O   LIG    1        3.473  -0.911  -0.548  0.00  0.00    -0.492 OA
BRANCH  12  13
ATOM     13  C   LIG    1        4.815  -0.731  -0.096  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.619  -1.985  -0.302  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        5.012  -3.356  -0.130  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1        5.410  -2.876  -1.501  0.00  0.00    +0.007 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   8
BRANCH   2  17
ATOM     17  N   LIG    1       -2.969  -0.868  -1.503  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1       -3.273  -1.098  -2.454  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -3.688  -1.904  -0.355  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -2.618  -2.340   0.521  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1       -4.489  -2.827  -1.129  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.759  -0.853   0.555  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -5.626  -1.451   1.460  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1       -5.631  -2.778   1.639  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1       -6.506  -0.675   2.209  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -6.516   0.711   2.050  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.644   1.315   1.143  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.761   0.536   0.391  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 7