REMARK  Name = BDB009042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.444   1.109  -1.775  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.501   1.627  -0.886  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.779   2.013  -1.328  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.091   1.896  -2.687  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.154   1.385  -3.583  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.106   0.992  -3.128  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.293   0.718  -0.129  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.733   0.681  -1.394  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.326   0.359  -2.148  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.789   1.179   0.887  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        6.283  -0.851   0.185  0.00  0.00    -0.048 A 
ATOM     12  C   LIG    1        5.887   0.266   0.932  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        4.587   0.764   0.823  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.670   0.155  -0.041  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        4.052  -0.977  -0.772  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        5.353  -1.474  -0.659  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.775  -2.441   1.426  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        7.681  -1.401   0.320  0.00  0.00    +0.032 C 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -2.783   2.580  -0.349  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.098   1.808  -0.315  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.234   0.613   0.577  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.082   0.142   1.420  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.299  -1.245   2.034  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.716  -1.396   2.571  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.747  -1.183   1.461  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -5.430  -0.003   0.586  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -6.524   0.484  -0.290  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -7.620  -0.067  -0.324  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -6.236   1.581  -1.056  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -6.972   1.933  -1.658  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -5.054   2.251  -1.079  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5