REMARK  Name = BDB052361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.527   0.223   0.438  0.00  0.00    +0.115 C 
ATOM      2  C   LIG    1       -1.284   1.390   1.150  0.00  0.00    +0.048 C 
ATOM      3  C   LIG    1       -2.428   0.366   1.440  0.00  0.00    +0.114 C 
ATOM      4  C   LIG    1       -1.328  -0.742   1.371  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.611   2.744   0.384  0.00  0.00    -0.043 A 
ATOM      6  C   LIG    1       -1.730   2.843  -1.016  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -2.018   4.054  -1.656  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.196   5.212  -0.909  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.089   5.157   0.474  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -1.803   3.942   1.104  0.00  0.00    +0.004 A 
ENDBRANCH   2   5
BRANCH   4  11
ATOM     11  C   LIG    1       -1.714  -2.209   0.896  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -1.840  -2.588  -0.455  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.180  -3.892  -0.834  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.405  -4.864   0.133  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.292  -4.530   1.477  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.954  -3.225   1.846  0.00  0.00    +0.004 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  C   LIG    1        1.013   0.205   0.579  0.00  0.00    +0.317 C 
ATOM     18  O   LIG    1        1.618   0.300   1.647  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1        1.620   0.066  -0.669  0.00  0.00    -0.426 OA
BRANCH  19  23
ATOM     20  C   LIG    1        5.783  -2.534  -0.283  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        5.063  -1.233  -0.483  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1        3.665  -1.190  -0.478  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        3.014   0.035  -0.619  0.00  0.00    +0.132 A 
ATOM     24  C   LIG    1        3.724   1.221  -0.788  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        5.116   1.183  -0.779  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.783  -0.037  -0.620  0.00  0.00    +0.003 A 
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   3  27
ATOM     27  C   LIG    1       -3.612   0.286   0.434  0.00  0.00    +0.309 C 
ATOM     28  O   LIG    1       -3.575   0.159  -0.784  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -4.824   0.374   1.033  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -5.455   0.310   0.285  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH   3  27
TORSDOF 7