REMARK  Name = BDB026611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.138   1.709   1.357  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1        0.153   0.310   1.521  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.860  -0.456   0.883  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.769  -1.867   0.970  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.229  -2.509   1.704  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.184  -1.756   2.364  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.876   0.225   0.150  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -1.825   1.560  -0.043  0.00  0.00    -0.238 NA
ATOM      9  C   LIG    1        1.151  -0.365   2.268  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.847   2.267   0.557  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -2.952  -0.458  -0.415  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1       -3.726   0.212  -1.488  0.00  0.00    +0.183 C 
ATOM     13  C   LIG    1       -4.862  -0.787  -1.709  0.00  0.00    +0.035 C 
ATOM     14  C   LIG    1       -5.189  -1.278  -0.301  0.00  0.00    +0.021 C 
ATOM     15  C   LIG    1       -3.894  -1.108   0.506  0.00  0.00    +0.107 C 
BRANCH  12  16
ATOM     16  C   LIG    1       -4.325   1.590  -1.177  0.00  0.00    +0.325 C 
ATOM     17  O   LIG    1       -4.463   2.499  -1.986  0.00  0.00    -0.249 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -4.820   1.742   0.073  0.00  0.00    -0.479 OA
ATOM     19  H   LIG    1       -5.071   2.688   0.093  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   7  11
BRANCH   1  20
ATOM     20  N   LIG    1        1.151   2.548   1.922  0.00  0.00    -0.214 N 
ATOM     21  H   LIG    1        1.540   2.304   2.830  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.269   3.287   0.898  0.00  0.00    +0.072 S 
ATOM     23  O   LIG    1        3.303   3.817   1.761  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        1.563   4.135  -0.037  0.00  0.00    -0.150 OA
BRANCH  22  28
ATOM     25  C   LIG    1        4.089  -0.207  -1.423  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        2.972   0.469  -1.925  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        2.413   1.541  -1.227  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1        2.969   1.924  -0.005  0.00  0.00    +0.109 A 
ATOM     29  C   LIG    1        4.098   1.271   0.497  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        4.653   0.200  -0.212  0.00  0.00    +0.047 A 
BRANCH  25  32
ATOM     31  C   LIG    1        5.673  -1.951  -1.755  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        4.531  -1.236  -2.209  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  22  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7