REMARK  Name = BDB008442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.446  -2.302   0.989  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.591  -1.426   0.816  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -3.383  -1.786   0.056  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.241  -3.091  -0.453  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.107  -3.466  -1.170  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -1.074  -2.556  -1.400  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.217  -1.255  -0.889  0.00  0.00    +0.051 A 
ATOM      8  N   LIG    1       -0.374  -0.154  -0.943  0.00  0.00    -0.342 N 
ATOM      9  C   LIG    1       -0.970   0.901  -0.299  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -2.197   0.476   0.173  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -3.078   1.352   0.893  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -2.623   2.806   1.033  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1       -1.095   2.938   1.086  0.00  0.00    +0.012 C 
ATOM     14  N   LIG    1       -4.228   1.030   1.389  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -0.411   2.272  -0.120  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1       -2.358  -0.869  -0.175  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1       -4.842  -0.182   1.355  0.00  0.00    -0.242 N 
ATOM     18  H   LIG    1       -5.740  -0.171   1.832  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  19
ATOM     19  C   LIG    1        0.909  -0.127  -1.632  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.061  -0.746  -0.818  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.563   0.133   0.258  0.00  0.00    -0.301 NA
ATOM     22  C   LIG    1        3.391  -0.610   1.222  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1        4.782  -0.666   0.614  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1        4.861   0.557  -0.288  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1        3.470   1.177  -0.247  0.00  0.00    +0.084 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   8  19
TORSDOF 3