REMARK  Name = BDB004005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.137   3.020   0.588  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.718   1.835   0.318  0.00  0.00    +0.108 A 
ATOM      3  N   LIG    1        0.297   0.528   0.451  0.00  0.00    -0.327 N 
ATOM      4  C   LIG    1        1.361  -0.298   0.161  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        2.389   0.579  -0.171  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1        3.643   0.070  -0.539  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.829  -1.317  -0.559  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.786  -2.180  -0.219  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        1.527  -1.689   0.150  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.975   1.882  -0.073  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1       -1.025   0.094   0.863  0.00  0.00    +0.138 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.039   0.053  -0.281  0.00  0.00    +0.114 C 
ATOM     13  C   LIG    1       -1.774  -1.058  -1.295  0.00  0.00    +0.021 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.408  -0.070   0.337  0.00  0.00    +0.309 C 
ATOM     15  O   LIG    1       -4.132   0.866   0.635  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.769  -1.331   0.627  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -4.662  -1.246   1.026  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 4