REMARK  Name = BDB048906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.793  -0.680  -0.596  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        0.256  -1.621  -1.050  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        1.323  -1.789   0.060  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        1.941  -0.504   0.461  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        0.881   0.465   0.824  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.192   0.637  -0.277  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -5.783   0.427  -0.457  0.00  0.00    +0.164 A 
ATOM      8  C   LIG    1       -4.847   0.214   0.567  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -3.532  -0.102   0.226  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1       -3.130  -0.206  -1.129  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -4.074  -0.012  -2.143  0.00  0.00    +0.080 A 
ATOM     12  N   LIG    1       -3.772  -0.122  -3.440  0.00  0.00    -0.235 NA
ATOM     13  C   LIG    1       -2.508  -0.443  -3.736  0.00  0.00    +0.223 A 
ATOM     14  N   LIG    1       -1.518  -0.648  -2.864  0.00  0.00    -0.220 NA
ATOM     15  C   LIG    1       -1.823  -0.516  -1.560  0.00  0.00    +0.132 A 
ATOM     16  C   LIG    1       -5.380   0.307  -1.792  0.00  0.00    +0.078 A 
BRANCH   7  18
ATOM     17  C   LIG    1       -8.032   0.963  -1.065  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -7.058   0.741  -0.056  0.00  0.00    -0.491 OA
ENDBRANCH   7  18
BRANCH   8  19
ATOM     19  O   LIG    1       -5.311   0.340   1.852  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -4.407   0.052   2.910  0.00  0.00    +0.277 C 
ENDBRANCH   8  19
ENDBRANCH   1  15
BRANCH   4  21
ATOM     21  C   LIG    1        2.901  -0.656   1.573  0.00  0.00    +0.125 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.154  -1.500   1.258  0.00  0.00    +0.244 C 
BRANCH  22  23
ATOM     23  O   LIG    1        4.894  -0.991   0.148  0.00  0.00    -0.491 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.781   0.029   0.347  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        6.397   0.491  -0.820  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        7.330   1.528  -0.774  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.656   2.112   0.446  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.048   1.658   1.615  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.113   0.618   1.567  0.00  0.00    +0.045 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 7