REMARK  Name = BDB003174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.083  -1.133  -1.342  0.00  0.00    +0.040 C 
ATOM      2  C   LIG    1        0.125   0.402  -1.314  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1       -0.204   0.933  -2.725  0.00  0.00    +0.040 C 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.851   1.097  -0.326  0.00  0.00    +0.186 C 
ATOM      5  O   LIG    1       -0.633   2.236   0.100  0.00  0.00    -0.290 OA
BRANCH   4   6
ATOM      6  C   LIG    1       -2.082   0.416   0.154  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.965  -0.240  -0.707  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -4.111  -0.853  -0.194  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.385  -0.797   1.173  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.520  -0.120   2.030  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.374   0.493   1.522  0.00  0.00    +0.011 A 
ENDBRANCH   4   6
ENDBRANCH   2   4
BRANCH   2  12
ATOM     12  N   LIG    1        1.514   0.881  -1.037  0.00  0.00    -0.332 N 
ATOM     13  H   LIG    1        1.458   1.889  -0.841  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.313   0.328  -0.029  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.698   0.317  -0.242  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        4.583  -0.139   0.739  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.094  -0.564   1.969  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.725  -0.517   2.217  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        1.845  -0.059   1.230  0.00  0.00    +0.023 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
TORSDOF 4