REMARK  Name = BDB015257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.200   1.520  -1.035  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.313   1.116   0.009  0.00  0.00    -0.374 OA
BRANCH   2   7
ATOM      3  C   LIG    1       -4.847  -0.366   0.522  0.00  0.00    +0.403 C 
ATOM      4  N   LIG    1       -3.529  -0.086   0.205  0.00  0.00    -0.267 N 
ATOM      5  C   LIG    1       -2.545   0.053   1.272  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -1.203  -0.535   0.854  0.00  0.00    +0.050 C 
ATOM      7  C   LIG    1       -0.652   0.139  -0.410  0.00  0.00    +0.121 C 
ATOM      8  C   LIG    1       -1.746   0.805  -1.254  0.00  0.00    +0.050 C 
ATOM      9  C   LIG    1       -3.065   0.052  -1.171  0.00  0.00    +0.113 C 
ATOM     10  O   LIG    1       -5.264  -0.460   1.669  0.00  0.00    -0.226 OA
BRANCH   3  11
ATOM     11  O   LIG    1       -5.610  -0.533  -0.589  0.00  0.00    -0.445 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -7.260  -2.185   0.199  0.00  0.00    +0.055 C 
ATOM     13  C   LIG    1       -7.025  -0.835  -0.488  0.00  0.00    +0.107 C 
ATOM     14  C   LIG    1       -7.791   0.301   0.198  0.00  0.00    +0.055 C 
ATOM     15  C   LIG    1       -7.503  -0.938  -1.945  0.00  0.00    +0.055 C 
ENDBRANCH  11  13
ENDBRANCH   3  11
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        2.219   2.531  -0.504  0.00  0.00    +0.154 C 
BRANCH  16  17
ATOM     17  O   LIG    1        3.123   2.884  -1.562  0.00  0.00    -0.388 OA
ATOM     18  H   LIG    1        3.838   2.215  -1.503  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        3.043   2.047   0.711  0.00  0.00    +0.118 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.038   1.021   0.314  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        5.332   1.273   0.986  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        6.360   0.189   0.740  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.965  -1.104   0.353  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.932  -2.099   0.161  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        8.281  -1.821   0.376  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        8.675  -0.547   0.778  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.511  -1.396   0.086  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        7.719   0.453   0.963  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.578  -0.333   0.681  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 8