REMARK  Name = BDB008956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.342  -1.468  -1.201  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.520  -0.471  -0.764  0.00  0.00    -0.247 NA
ATOM      3  C   LIG    1       -0.702  -0.830  -0.294  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -1.120  -2.162  -0.270  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -0.257  -3.159  -0.724  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.000  -2.811  -1.205  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.409  -1.806  -2.324  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        2.688  -1.035  -1.703  0.00  0.00    +0.263 C 
ATOM      9  N   LIG    1        3.001   0.274  -1.392  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.225   0.793  -0.985  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.130   1.006  -1.953  0.00  0.00    +0.073 C 
ATOM     12  C   LIG    1        4.171   2.432  -1.370  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        4.953   2.483  -0.060  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1        6.407   2.035  -0.238  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1        6.636   1.200  -1.496  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        5.466   0.258  -1.755  0.00  0.00    +0.022 C 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1       -1.613   0.309   0.096  0.00  0.00    +0.112 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.464   0.050   1.330  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1       -3.938  -0.175   1.174  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.563  -0.312  -0.186  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -5.973  -0.906  -0.141  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -6.801  -0.255   0.961  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -6.149  -0.468   2.328  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.657  -0.271   2.307  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.981  -0.197   3.627  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -4.611  -0.238   4.679  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -2.617  -0.097   3.594  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -2.133  -0.055   4.484  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -1.855   0.064   2.478  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4