REMARK  Name = BDB035950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.467  -1.045  -0.060  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -2.894  -0.658  -1.273  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -3.324  -0.939  -2.666  0.00  0.00    +0.080 C 
ATOM      4  C   LIG    1       -2.423   0.042  -3.417  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1       -1.259   0.328  -2.608  0.00  0.00    -0.491 OA
ATOM      6  C   LIG    1       -1.694   0.051  -1.320  0.00  0.00    +0.138 A 
ATOM      7  C   LIG    1       -1.023   0.401  -0.152  0.00  0.00    +0.106 A 
ATOM      8  C   LIG    1       -1.603   0.012   1.042  0.00  0.00    +0.173 A 
ATOM      9  O   LIG    1       -0.817   0.428   2.070  0.00  0.00    -0.353 OA
ATOM     10  N   LIG    1        0.290   1.094   1.564  0.00  0.00    -0.060 NA
ATOM     11  C   LIG    1        0.156   1.075   0.234  0.00  0.00    +0.192 A 
ATOM     12  C   LIG    1       -2.802  -0.702   1.140  0.00  0.00    +0.056 A 
ENDROOT
BRANCH  11  13
ATOM     13  N   LIG    1        1.055   1.629  -0.666  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1        0.943   1.409  -1.654  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1        2.585   2.166  -0.261  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1        3.284   2.363  -1.518  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        2.416   3.273   0.657  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.353   0.783   0.536  0.00  0.00    +0.191 A 
ATOM     19  C   LIG    1        3.307  -0.475  -0.082  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1        3.858  -1.595   0.550  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1        4.511  -1.456   1.772  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.606  -0.198   2.365  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        4.015   0.919   1.759  0.00  0.00    +0.150 A 
BRANCH  19  24
ATOM     24  O   LIG    1        2.672  -0.649  -1.286  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1        3.618  -0.900  -2.329  0.00  0.00    +0.277 C 
ENDBRANCH  19  24
BRANCH  23  26
ATOM     26  O   LIG    1        4.217   2.139   2.342  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1        3.394   2.301   3.499  0.00  0.00    +0.277 C 
ENDBRANCH  23  26
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH  11  13
BRANCH   1  28
ATOM     28  C   LIG    1       -4.737  -1.858  -0.002  0.00  0.00    +0.195 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -6.385  -0.243   0.555  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -5.633  -1.368   0.997  0.00  0.00    -0.378 OA
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 7