REMARK  Name = BDB017303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.493   0.832   1.079  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        4.943   1.066  -0.202  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        3.553   0.829  -0.441  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        2.740   0.399   0.638  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.365   0.162   0.450  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.769   0.329  -0.802  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.555   0.753  -1.872  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.308   0.205   1.902  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.922   0.993  -1.696  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.669   0.414   2.121  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.462   0.662   2.423  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.840   1.051   1.204  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.685   0.089  -1.048  0.00  0.00    +0.168 C 
ATOM     14  O   LIG    1       -1.213   0.650  -2.006  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.468  -0.816  -0.097  0.00  0.00    +0.078 C 
ATOM     16  C   LIG    1       -2.476  -1.763  -0.791  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -3.696  -0.999  -1.345  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -4.067   0.240  -0.515  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1       -3.643   0.068   0.877  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -2.170   0.079   0.955  0.00  0.00    +0.096 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -4.186   1.014   1.863  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -4.503   2.434   1.345  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -5.791   2.358   2.201  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.706   0.818   2.064  0.00  0.00    +0.019 C 
ENDBRANCH  19  21
BRANCH  16  25
ATOM     25  C   LIG    1       -1.913  -2.821  -1.784  0.00  0.00    -0.013 C 
ATOM     26  C   LIG    1       -1.323  -2.283  -3.088  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -0.884  -3.737  -1.109  0.00  0.00    +0.007 C 
ENDBRANCH  16  25
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  28
ATOM     28  C   LIG    1        5.869   1.529  -1.317  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.393   0.409  -2.112  0.00  0.00    +0.067 C 
ATOM     30  N   LIG    1        6.804  -0.461  -2.763  0.00  0.00    -0.196 NA
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 7