REMARK  Name = BDB028508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.114   1.747   1.803  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -7.090   1.500   0.088  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -6.375   0.175   0.022  0.00  0.00    +0.213 C 
ATOM      4  N   LIG    1       -5.510  -0.033  -1.044  0.00  0.00    -0.300 N 
ATOM      5  C   LIG    1       -4.724  -1.269  -1.046  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1       -3.505  -1.215  -0.114  0.00  0.00    +0.128 C 
ATOM      7  N   LIG    1       -2.634  -0.036  -0.233  0.00  0.00    -0.284 N 
ATOM      8  C   LIG    1       -1.731   0.163   0.800  0.00  0.00    +0.302 C 
ATOM      9  N   LIG    1       -1.042   1.345   0.749  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -1.603   2.100   0.384  0.00  0.00    +0.150 HD
ATOM     11  O   LIG    1       -1.540  -0.659   1.692  0.00  0.00    -0.253 OA
ATOM     12  C   LIG    1       -2.617   0.708  -1.496  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -3.789   1.683  -1.598  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -5.096   0.997  -1.992  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1       -6.576  -0.680   0.885  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1        1.133   0.852   1.995  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.803  -0.282   2.809  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.046  -0.644   2.471  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        1.760   0.407   0.652  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.211   0.104   0.700  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        3.686  -0.211  -0.664  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        5.125  -0.678  -0.727  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.760  -1.205   0.409  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        7.080  -1.665   0.319  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.759  -1.626  -0.898  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.126  -1.121  -2.032  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.042  -1.211   1.733  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        5.815  -0.652  -1.948  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.523  -1.021   1.598  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5