REMARK  Name = BDB002699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.416  -0.145  -0.174  0.00  0.00    +0.184 A 
ATOM      2  N   LIG    1        0.656   0.828   0.342  0.00  0.00    -0.141 NA
ATOM      3  N   LIG    1       -0.605   0.454  -0.016  0.00  0.00    -0.163 N 
ATOM      4  C   LIG    1       -1.715   1.202   0.418  0.00  0.00    +0.281 C 
ATOM      5  O   LIG    1       -1.519   2.312   0.917  0.00  0.00    -0.265 OA
ATOM      6  C   LIG    1       -0.529  -0.683  -0.817  0.00  0.00    +0.219 A 
ATOM      7  N   LIG    1        0.714  -1.087  -0.885  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.123   0.762   0.309  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -4.064   1.650  -0.222  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.401   1.264  -0.329  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.812   0.001   0.117  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -7.245  -0.424  -0.024  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.864  -0.877   0.659  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -3.525  -0.495   0.769  0.00  0.00    +0.013 A 
ENDBRANCH   4   8
BRANCH   1  18
ATOM     15  C   LIG    1        5.671  -0.343   0.282  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        4.984  -1.330  -0.429  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.595  -1.266  -0.579  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        2.867  -0.210  -0.017  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        3.562   0.777   0.696  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        4.954   0.712   0.845  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        7.767   0.453   1.067  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        7.024  -0.526   0.352  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   1  18
BRANCH   6  23
ATOM     23  N   LIG    1       -1.555  -1.280  -1.462  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1       -1.264  -1.977  -2.145  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -2.332  -0.726  -1.814  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 4