REMARK  Name = BDB008531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.057   1.894  -1.108  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.101   1.132  -1.476  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.391   0.040  -0.753  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.692  -0.342   0.320  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -0.352   0.413   0.685  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1       -0.689   1.561   0.004  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        0.744   3.376  -2.872  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -0.244   3.064  -1.839  0.00  0.00    -0.321 N 
ATOM      9  C   LIG    1       -1.633   3.135  -2.293  0.00  0.00    +0.130 C 
ENDBRANCH   1   8
BRANCH   3  10
ATOM     10  N   LIG    1        2.491  -0.680  -1.212  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        2.873  -0.206  -2.016  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1        3.132  -1.854  -0.803  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        2.712  -2.639   0.275  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        3.399  -3.804   0.636  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.523  -4.205  -0.079  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.960  -3.441  -1.155  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.269  -2.278  -1.511  0.00  0.00    +0.023 A 
ENDBRANCH  10  12
ENDBRANCH   3  10
BRANCH   5  18
ATOM     18  N   LIG    1       -1.034  -0.004   1.834  0.00  0.00    -0.299 N 
ATOM     19  H   LIG    1       -0.567  -0.830   2.197  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.401   0.029   2.168  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -2.761  -0.182   3.507  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.098  -0.141   3.912  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.098   0.114   2.978  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.760   0.325   1.644  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.420   0.285   1.244  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 5