REMARK  Name = BDB046285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.447  -1.361  -0.157  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1       -0.518  -0.441  -0.387  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1       -1.770  -0.670   0.085  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -2.108  -1.823   0.788  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1       -3.413  -2.014   1.257  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1       -3.659  -2.852   1.768  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.428  -1.103   1.068  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1       -4.103   0.143   0.318  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -5.111   1.093   0.103  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.825   2.264  -0.597  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.538   2.485  -1.082  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.534   1.537  -0.867  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1       -5.556  -1.316   1.501  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -1.132  -2.780   1.009  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -2.796   0.349  -0.163  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        0.154  -2.544   0.524  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1        4.456   1.869   0.668  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1        3.463   0.803   0.619  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        3.899  -0.358  -0.211  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        2.920  -1.548   0.071  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1        1.708  -1.128  -0.665  0.00  0.00    -0.309 N 
ATOM     22  C   LIG    1        2.015   0.218  -1.207  0.00  0.00    +0.090 C 
ATOM     23  C   LIG    1        3.473   0.027  -1.626  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        2.198   1.241  -0.052  0.00  0.00    +0.107 C 
ENDBRANCH   1  21
TORSDOF 1