REMARK  Name = BDB003865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.503  -0.542   0.369  0.00  0.00    +0.105 C 
ATOM      2  C   LIG    1       -1.065  -0.869  -1.020  0.00  0.00    +0.227 C 
ATOM      3  O   LIG    1       -0.434  -0.814  -2.072  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -2.354  -1.346  -1.018  0.00  0.00    -0.256 N 
ATOM      5  H   LIG    1       -2.502  -1.900  -1.856  0.00  0.00    +0.157 HD
ATOM      6  C   LIG    1       -3.416  -0.487  -1.008  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -4.349  -0.687  -1.788  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -3.386   0.750  -0.142  0.00  0.00    +0.096 C 
ATOM      9  C   LIG    1       -2.633   0.617   1.172  0.00  0.00    +0.010 C 
ATOM     10  C   LIG    1       -1.122   0.719   0.982  0.00  0.00    +0.018 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.117   0.567  -0.322  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        1.721   0.497  -0.351  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        1.018  -0.460   0.404  0.00  0.00    -0.034 A 
ATOM     14  C   LIG    1        1.747  -1.324   1.233  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.135  -1.218   1.317  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.812  -0.262   0.559  0.00  0.00    +0.023 A 
BRANCH  11  17
ATOM     17  N   LIG    1        3.784   1.597  -0.998  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        3.294   1.909  -1.831  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        4.759   1.388  -1.189  0.00  0.00    +0.142 HD
ENDBRANCH  11  17
ENDBRANCH   1  13
TORSDOF 2