REMARK  Name = BDB003821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.343  -0.389  -0.126  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        1.056  -0.067  -0.342  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1        0.012  -0.723   0.309  0.00  0.00    -0.303 N 
ATOM      4  C   LIG    1        0.258  -1.696   1.280  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -0.612  -2.259   1.939  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.682  -2.066   1.494  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1        2.655  -1.441   0.819  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.390  -0.288   0.126  0.00  0.00    +0.176 C 
ATOM      9  C   LIG    1       -1.663   0.957   0.998  0.00  0.00    +0.242 C 
ATOM     10  O   LIG    1       -0.772   1.594   1.565  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -2.954   1.434   1.099  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -2.933   2.337   1.559  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -3.946   1.391   0.149  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -4.579   2.404  -0.138  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.205   0.068  -0.523  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1       -3.238  -0.231  -1.656  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -1.757  -0.012  -1.339  0.00  0.00    +0.035 C 
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1        3.378   0.376  -0.880  0.00  0.00    +0.340 C 
ATOM     19  O   LIG    1        3.126   1.186  -1.762  0.00  0.00    -0.245 OA
BRANCH  18  21
ATOM     20  C   LIG    1        5.674   0.743  -1.120  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1        4.623   0.043  -0.452  0.00  0.00    -0.464 OA
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 3