REMARK  Name = BDB050335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.665  -1.221   0.883  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        1.423  -0.922   0.304  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.416  -0.301   1.055  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        0.656   0.034   2.391  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.893  -0.255   2.971  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.891  -0.877   2.221  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.880  -0.003   0.405  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1       -2.054   0.504   1.169  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1       -3.126   0.197   0.145  0.00  0.00    +0.214 C 
ATOM     10  O   LIG    1       -2.427   0.256  -1.109  0.00  0.00    -0.390 OA
ATOM     11  N   LIG    1       -1.086  -0.128  -0.869  0.00  0.00    -0.089 NA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.262   1.220   0.170  0.00  0.00    +0.082 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.487   0.742  -0.576  0.00  0.00    -0.044 A 
ATOM     14  C   LIG    1       -5.524   0.774  -1.976  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -6.649   0.322  -2.666  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.749  -0.167  -1.964  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.723  -0.206  -0.571  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.597   0.244   0.121  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1        3.757  -1.871   0.060  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.690  -0.833  -0.580  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.471  -1.500  -1.715  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1        6.679  -1.659  -1.794  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.679  -1.896  -2.736  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1        5.307  -2.276  -3.387  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1        5.560  -0.333   0.445  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1        5.246   2.063   0.542  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1        6.159   0.922   0.131  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9