REMARK  Name = BDB002307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.875  -0.051  -0.602  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.046  -0.142   0.414  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.199   0.757   0.458  0.00  0.00    +0.185 C 
ATOM      4  C   LIG    1        1.667   0.698   1.911  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        1.256  -0.702   2.355  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.069  -0.917   1.639  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.736   0.764  -1.522  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.312   0.285  -0.486  0.00  0.00    +0.328 C 
ATOM      9  O   LIG    1        2.462  -0.866  -0.881  0.00  0.00    -0.249 OA
BRANCH   8  10
ATOM     10  O   LIG    1        3.146   1.328  -0.762  0.00  0.00    -0.459 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.293   1.008  -1.556  0.00  0.00    +0.267 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.464   0.741  -0.647  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        6.185   1.803  -0.084  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        7.254   1.555   0.778  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.606   0.243   1.092  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.889  -0.820   0.548  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.820  -0.574  -0.314  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1       -2.099  -0.996  -0.574  0.00  0.00    +0.162 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.874   0.522   0.216  0.00  0.00    +0.230 C 
ATOM     20  N   LIG    1       -3.244  -0.118  -0.833  0.00  0.00    -0.302 N 
ATOM     21  H   LIG    1       -3.200   0.390  -1.710  0.00  0.00    +0.150 HD
ATOM     22  O   LIG    1       -3.645   0.257   1.395  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -4.876   1.612  -0.223  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1       -4.110   2.902  -0.505  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1       -6.863   0.801   0.916  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -5.872   1.869   0.839  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1       -5.365   1.898   1.729  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH  18  20
BRANCH  18  28
ATOM     28  C   LIG    1       -1.978  -2.080  -1.668  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -0.775  -2.998  -1.430  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -3.249  -2.936  -1.742  0.00  0.00    +0.009 C 
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 9