REMARK  Name = BDB065244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.910   0.705   1.005  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        3.804   1.417   1.496  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        2.531   1.113   1.010  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        2.342   0.101   0.034  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        3.450  -0.617  -0.433  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1        3.345  -1.600  -1.329  0.00  0.00    -0.218 NA
ATOM      7  C   LIG    1        2.108  -1.885  -1.768  0.00  0.00    +0.234 A 
ATOM      8  N   LIG    1        0.979  -1.261  -1.405  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1        1.097  -0.264  -0.516  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        4.712  -0.302   0.053  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.276   0.359   1.050  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.132   1.059   1.519  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1        4.070   2.382   2.433  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1        2.966   3.035   3.044  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   7  15
ATOM     15  C   LIG    1        1.984  -2.953  -2.724  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1        1.888  -3.816  -3.499  0.00  0.00    -0.188 NA
ENDBRANCH   7  15
BRANCH   9  17
ATOM     17  N   LIG    1       -0.064   0.433  -0.111  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        0.091   1.421  -0.302  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.350  -0.022  -0.673  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1       -1.794  -1.346  -0.025  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -3.307  -1.437   0.185  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1       -4.012  -0.793  -0.921  0.00  0.00    -0.299 NA
ATOM     23  C   LIG    1       -3.768   0.649  -0.981  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -2.403   1.061  -0.419  0.00  0.00    +0.037 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.397  -1.262  -1.081  0.00  0.00    +0.057 C 
ATOM     26  C   LIG    1       -6.510  -0.408  -1.622  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -6.498  -0.793  -0.170  0.00  0.00    +0.020 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   9  17
TORSDOF 6