REMARK  Name = BDB048117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.565   0.726  -1.045  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -2.489  -0.128  -0.818  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1       -1.241   0.284  -0.504  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -1.047   1.616  -0.423  0.00  0.00    +0.215 A 
ATOM      5  C   LIG    1       -2.045   2.552  -0.638  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -3.322   2.098  -0.956  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.931   0.185  -1.380  0.00  0.00    +0.083 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.925  -0.018  -0.203  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1       -5.344  -0.977   0.848  0.00  0.00    +0.054 C 
BRANCH   8  11
ATOM     10  C   LIG    1       -8.191  -0.863   0.046  0.00  0.00    +0.195 C 
ATOM     11  O   LIG    1       -7.089  -0.614  -0.816  0.00  0.00    -0.365 OA
ENDBRANCH   8  11
BRANCH   8  12
ATOM     12  C   LIG    1       -6.233   1.350   0.440  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -5.995   1.691   1.589  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.862   2.210  -0.391  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1       -7.030   3.000   0.164  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.200   2.115  -0.104  0.00  0.00    -0.476 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.194   1.095   0.047  0.00  0.00    +0.237 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.510   1.773   0.416  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.603   0.797   0.648  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        3.956   0.130   1.802  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        3.452   0.095   3.185  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1        5.033  -0.660   1.516  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1        5.280  -0.433   0.186  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1        4.451   0.430  -0.371  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1        6.398  -1.159  -0.412  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        7.191  -2.048   0.330  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        8.254  -2.729  -0.270  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.538  -2.530  -1.619  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.760  -1.652  -2.370  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.698  -0.972  -1.770  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 10