REMARK  Name = BDB065246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.676   0.400  -0.244  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        4.054  -0.843  -0.441  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        2.667  -0.935  -0.312  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        1.883   0.202   0.012  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        2.513   1.441   0.184  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1        1.840   2.558   0.462  0.00  0.00    -0.218 NA
ATOM      7  C   LIG    1        0.507   2.447   0.561  0.00  0.00    +0.234 A 
ATOM      8  N   LIG    1       -0.204   1.317   0.430  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1        0.481   0.196   0.169  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        3.894   1.519   0.060  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        6.710   1.658  -0.182  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.042   0.419  -0.378  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1        4.880  -1.894  -0.745  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1        4.280  -3.144  -1.053  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   7  15
ATOM     15  C   LIG    1       -0.231   3.650   0.841  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1       -0.832   4.621   1.067  0.00  0.00    -0.188 NA
ENDBRANCH   7  15
BRANCH   9  17
ATOM     17  N   LIG    1       -0.220  -1.014   0.032  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        0.190  -1.702   0.661  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.690  -1.052   0.103  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1       -2.248  -0.656   1.478  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -3.378   0.362   1.368  0.00  0.00    +0.109 C 
ATOM     22  N   LIG    1       -4.367  -0.053   0.375  0.00  0.00    -0.302 N 
ATOM     23  C   LIG    1       -5.718   0.014   0.694  0.00  0.00    +0.212 C 
ATOM     24  O   LIG    1       -6.130   0.367   1.798  0.00  0.00    -0.276 OA
ATOM     25  C   LIG    1       -6.692  -0.383  -0.388  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -3.872  -0.419  -0.952  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -2.355  -0.333  -1.075  0.00  0.00    +0.041 C 
ENDBRANCH  17  19
ENDBRANCH   9  17
TORSDOF 5