REMARK  Name = BDB018331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.271   0.988   0.244  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -1.669   0.536   0.352  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -2.671   1.435   0.333  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -2.406   2.889   0.212  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -3.352   3.671   0.213  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -1.071   3.249   0.102  0.00  0.00    -0.318 N 
ATOM      7  C   LIG    1       -0.720   4.656  -0.018  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1       -0.051   2.313   0.122  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -2.092  -0.878   0.441  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -2.610  -1.394   1.638  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.002  -2.732   1.717  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.880  -3.562   0.604  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.368  -3.057  -0.590  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -1.975  -1.720  -0.673  0.00  0.00    +0.008 A 
ENDBRANCH   2   9
BRANCH   1  18
ATOM     15  N   LIG    1        2.708  -0.968  -0.192  0.00  0.00    -0.271 N 
ATOM     16  N   LIG    1        2.237  -1.625   0.883  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        1.090  -0.996   1.159  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.832   0.071   0.271  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.907   0.063  -0.594  0.00  0.00    +0.116 A 
BRANCH  15  21
ATOM     20  C   LIG    1        5.163  -0.794  -0.101  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1        3.955  -1.387  -0.803  0.00  0.00    +0.140 C 
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 3