REMARK  Name = BDB028626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.412   1.221  -0.979  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        0.613   1.496   0.145  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.192   1.535   1.398  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.236   1.792   2.329  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -0.992   1.927   1.704  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1        2.546   1.334   1.649  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.356   1.078   0.530  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -0.759   1.758   0.399  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1        2.787   1.027  -0.761  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1       -1.725   1.815  -0.596  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.448   1.529  -1.534  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.369   1.709  -0.317  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.745   2.873   0.457  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.980   1.467  -1.612  0.00  0.00    -0.150 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -3.569   0.222   0.624  0.00  0.00    +0.191 A 
ATOM     16  C   LIG    1       -4.330   0.194   1.796  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -4.462  -0.999   2.518  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1       -3.812  -2.157   2.094  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -3.057  -2.136   0.924  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -2.961  -0.959   0.174  0.00  0.00    +0.150 A 
BRANCH  16  21
ATOM     21  O   LIG    1       -5.063   1.271   2.210  0.00  0.00    -0.493 OA
ATOM     22  C   LIG    1       -4.478   1.882   3.363  0.00  0.00    +0.277 C 
ENDBRANCH  16  21
BRANCH  20  23
ATOM     23  O   LIG    1       -2.209  -0.975  -0.974  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -2.877  -1.700  -2.011  0.00  0.00    +0.277 C 
ENDBRANCH  20  23
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   8  10
BRANCH   1  25
ATOM     25  O   LIG    1        0.787   1.171  -2.196  0.00  0.00    -0.491 OA
BRANCH  25  27
ATOM     26  C   LIG    1        0.582   0.465  -4.460  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        1.527   0.608  -3.280  0.00  0.00    +0.226 C 
ENDBRANCH  25  27
ENDBRANCH   1  25
BRANCH   7  28
ATOM     28  C   LIG    1        4.841   0.851   0.708  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.204  -0.536   0.448  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.654  -0.901  -0.772  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.900  -2.207  -0.639  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        5.617  -2.678   0.656  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.172  -1.571   1.340  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 9