REMARK  Name = BDB060584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.289   0.330   0.461  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1        1.978   0.288   0.114  0.00  0.00    -0.243 NA
ATOM      3  C   LIG    1        1.158   1.085   0.846  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        1.622   1.887   1.880  0.00  0.00    +0.154 A 
ATOM      5  O   LIG    1        0.598   2.579   2.442  0.00  0.00    -0.461 OA
ATOM      6  C   LIG    1       -0.528   2.221   1.767  0.00  0.00    +0.206 A 
ATOM      7  C   LIG    1        2.957   1.939   2.245  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -0.250   1.295   0.775  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        3.804   1.121   1.494  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.207  -2.019  -1.537  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        5.873  -1.567  -1.222  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1        4.829  -2.076  -1.896  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        3.778  -1.447  -1.361  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1        4.142  -0.534  -0.343  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        5.518  -0.640  -0.283  0.00  0.00    +0.118 A 
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1       -1.250   0.733  -0.122  0.00  0.00    -0.012 A 
ATOM     17  C   LIG    1       -2.577   0.541   0.297  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -3.552   0.002  -0.564  0.00  0.00    -0.017 A 
ATOM     19  C   LIG    1       -3.167  -0.345  -1.867  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -1.851  -0.167  -2.295  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -0.899   0.368  -1.427  0.00  0.00    +0.009 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.937  -0.194  -0.108  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1       -5.222  -0.949   1.036  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -6.543  -1.106   1.427  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -7.590  -0.567   0.769  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -7.301   0.157  -0.332  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -6.014   0.367  -0.802  0.00  0.00    +0.028 A 
ENDBRANCH  18  22
ENDBRANCH   8  16
TORSDOF 3