REMARK  Name = BDB048898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.731   0.268  -0.525  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -4.661  -0.522  -0.974  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.390  -0.304  -0.440  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -3.167   0.697   0.537  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -4.243   1.467   0.993  0.00  0.00    +0.080 A 
ATOM      6  N   LIG    1       -4.109   2.410   1.930  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.883   2.587   2.433  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1       -1.778   1.924   2.080  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1       -1.918   0.986   1.125  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1       -5.503   1.244   0.453  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  11
ATOM     11  N   LIG    1       -0.758   0.296   0.677  0.00  0.00    -0.312 N 
ATOM     12  C   LIG    1        0.231   0.074   1.762  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1        1.400   1.082   1.712  0.00  0.00    +0.103 C 
ATOM     14  N   LIG    1        2.163   1.083   0.437  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1        1.296   0.666  -0.692  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1       -0.194   1.024  -0.492  0.00  0.00    +0.122 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.377   0.254   0.536  0.00  0.00    +0.089 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.295   0.369  -0.693  0.00  0.00    +0.050 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.567  -0.425  -0.513  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        6.704   0.173   0.046  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        7.873  -0.566   0.231  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.915  -1.910  -0.136  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.787  -2.516  -0.687  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.617  -1.778  -0.874  0.00  0.00    +0.003 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   9  11
BRANCH   1  26
ATOM     25  C   LIG    1       -8.061   0.787  -0.662  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -6.954   0.008  -1.093  0.00  0.00    -0.491 OA
ENDBRANCH   1  26
BRANCH   2  27
ATOM     27  O   LIG    1       -4.956  -1.464  -1.925  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -3.909  -2.326  -2.347  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
TORSDOF 6