REMARK  Name = BDB031247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.287  -1.101   0.283  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -2.250  -0.502   1.115  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.330   0.087   0.499  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.483   0.100  -0.885  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1       -4.667   0.767  -1.179  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1       -5.059   0.945  -2.088  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -5.263   1.177   0.023  0.00  0.00    +0.325 A 
ATOM      8  O   LIG    1       -6.309   1.789   0.145  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1       -2.567  -0.476  -1.729  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -4.419   0.747   1.057  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1       -4.604   0.907   2.033  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -1.457  -1.084  -1.129  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -0.070  -1.769   0.890  0.00  0.00    +0.070 C 
BRANCH  13  17
ATOM     14  C   LIG    1        3.669   0.210  -0.037  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        2.712   0.849   0.750  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.505   0.208   1.050  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        1.235  -1.079   0.565  0.00  0.00    -0.043 A 
ATOM     18  C   LIG    1        2.201  -1.716  -0.223  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        3.406  -1.074  -0.520  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        5.192   2.031   0.052  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        4.884   0.720  -0.404  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH  13  17
ENDBRANCH   1  13
TORSDOF 3