REMARK  Name = BDB050174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.114  -0.671   0.261  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1       -2.040  -0.048  -0.380  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -1.024  -0.811  -0.980  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1       -1.098  -2.208  -0.932  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.168  -2.833  -0.294  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.170  -2.066   0.299  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.152   1.381   0.866  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1       -4.158  -0.041   0.880  0.00  0.00    -0.495 OA
ENDBRANCH   1   8
BRANCH   3   9
ATOM      9  C   LIG    1        0.139  -0.130  -1.664  0.00  0.00    +0.040 C 
BRANCH   9  10
ATOM     10  C   LIG    1        1.142   0.514  -0.686  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1        2.159   1.361  -1.471  0.00  0.00    +0.084 C 
ATOM     12  N   LIG    1        3.155   1.984  -0.596  0.00  0.00    -0.316 NA
ATOM     13  H   LIG    1        2.678   2.600   0.063  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        3.897   0.972   0.157  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        2.969   0.113   1.011  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1        1.878  -0.537   0.163  0.00  0.00    +0.006 C 
ENDBRANCH   9  10
ENDBRANCH   3   9
TORSDOF 3