REMARK  Name = BDB006948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.025  -0.866  -0.507  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.189  -0.312   0.021  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.463  -0.355  -0.578  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.413   0.244   0.251  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -4.748   0.327  -0.131  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -5.142  -0.197  -1.372  0.00  0.00    -0.033 A 
ATOM      7  C   LIG    1       -4.174  -0.805  -2.207  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1       -6.587  -0.107  -1.786  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1       -2.796   0.715   1.547  0.00  0.00    +0.008 C 
ATOM     10  C   LIG    1       -3.312  -0.117   2.728  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -3.042   2.206   1.795  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -2.831  -0.883  -1.805  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -1.295   0.434   1.288  0.00  0.00    +0.124 C 
ATOM     14  O   LIG    1       -0.002  -1.525  -1.548  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  15
ATOM     15  C   LIG    1       -4.539  -1.354  -3.484  0.00  0.00    +0.099 C 
ATOM     16  N   LIG    1       -4.852  -1.790  -4.513  0.00  0.00    -0.191 NA
ENDBRANCH   7  15
BRANCH   1  17
ATOM     17  C   LIG    1        1.254  -0.634   0.332  0.00  0.00    +0.181 C 
BRANCH  17  19
ATOM     18  C   LIG    1        3.703  -0.758   0.409  0.00  0.00    +0.097 C 
ATOM     19  N   LIG    1        2.495  -0.763  -0.457  0.00  0.00    -0.286 NA
ATOM     20  C   LIG    1        2.627   0.235  -1.540  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.158   1.649  -1.164  0.00  0.00    +0.065 C 
ATOM     22  C   LIG    1        2.070   2.584  -0.628  0.00  0.00    +0.025 C 
ATOM     23  N   LIG    1        4.316   1.616  -0.258  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1        4.522   2.545   0.103  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        4.137   0.669   0.849  0.00  0.00    +0.102 C 
BRANCH  18  26
ATOM     26  C   LIG    1        4.877  -1.499  -0.284  0.00  0.00    +0.179 C 
BRANCH  26  28
ATOM     27  C   LIG    1        5.728  -3.098   1.255  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1        5.914  -1.823   0.654  0.00  0.00    -0.381 OA
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5