REMARK  Name = BDB008948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.495   0.564   0.372  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        2.533   1.925   0.439  0.00  0.00    -0.250 NA
ATOM      3  C   LIG    1        1.360   2.540   0.699  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        0.162   1.870   0.903  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.146   0.473   0.836  0.00  0.00    -0.038 A 
ATOM      6  C   LIG    1        1.343  -0.193   0.557  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        4.865   0.740  -0.069  0.00  0.00    -0.308 N 
ATOM      8  H   LIG    1        4.624   1.728  -0.073  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        3.796  -0.121   0.076  0.00  0.00    +0.263 C 
ATOM     10  O   LIG    1        3.873  -1.340  -0.030  0.00  0.00    -0.269 OA
BRANCH   7  12
ATOM     11  C   LIG    1        7.247   1.268  -0.048  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1        6.169   0.304  -0.533  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1        6.187   0.192  -2.056  0.00  0.00    +0.027 C 
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   5  14
ATOM     14  C   LIG    1       -1.137  -0.297   1.039  0.00  0.00    +0.092 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.116  -0.255  -0.134  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1       -3.528  -0.693   0.113  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -3.942  -1.207   1.463  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -5.296  -1.923   1.449  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -6.316  -1.157   0.615  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -5.834  -0.993  -0.828  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -4.380  -0.620  -0.924  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -3.900  -0.154  -2.248  0.00  0.00    +0.268 A 
ATOM     23  O   LIG    1       -4.649  -0.077  -3.217  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1       -2.574   0.175  -2.321  0.00  0.00    -0.243 N 
ATOM     25  H   LIG    1       -2.221   0.489  -3.219  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1       -1.683   0.139  -1.295  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   5  14
TORSDOF 4