REMARK  Name = BDB003861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.518   1.667   0.467  0.00  0.00    +0.056 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.116   0.343   1.125  0.00  0.00    +0.006 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -0.384   0.242   1.421  0.00  0.00    +0.019 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -1.248   0.193   0.165  0.00  0.00    +0.107 C 
BRANCH   4   7
ATOM      5  O   LIG    1       -3.490   0.845  -1.457  0.00  0.00    -0.226 OA
ATOM      6  C   LIG    1       -3.634   0.258  -0.396  0.00  0.00    +0.401 C 
ATOM      7  N   LIG    1       -2.640  -0.009   0.498  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -2.894  -0.683   1.207  0.00  0.00    +0.152 HD
BRANCH   6   9
ATOM      9  O   LIG    1       -4.794  -0.248   0.081  0.00  0.00    -0.446 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -5.937  -0.082  -0.765  0.00  0.00    +0.269 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.184  -1.356  -1.531  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1       -6.906  -2.409  -0.951  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -7.117  -3.595  -1.657  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.600  -3.743  -2.942  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.869  -2.709  -3.523  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.658  -1.522  -2.820  0.00  0.00    +0.007 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   4   7
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        3.041   1.806   0.274  0.00  0.00    +0.281 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.279   3.098  -0.517  0.00  0.00    +0.346 C 
ATOM     19  O   LIG    1        3.678   4.171  -0.093  0.00  0.00    -0.247 OA
BRANCH  18  20
ATOM     20  O   LIG    1        2.985   2.962  -1.829  0.00  0.00    -0.478 OA
ATOM     21  H   LIG    1        3.162   3.848  -2.209  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
BRANCH  17  22
ATOM     22  O   LIG    1        3.647   1.804   1.577  0.00  0.00    -0.475 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.976   1.481   1.550  0.00  0.00    +0.152 A 
ATOM     24  C   LIG    1        5.444   0.177   1.724  0.00  0.00    +0.168 A 
ATOM     25  C   LIG    1        6.812  -0.121   1.768  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        7.732   0.919   1.652  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.282   2.234   1.512  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.911   2.515   1.476  0.00  0.00    +0.048 A 
BRANCH  24  29
ATOM     29  N   LIG    1        4.516  -0.914   1.879  0.00  0.00    +0.060 N 
ATOM     30  O   LIG    1        3.988  -1.352   0.848  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1        4.350  -1.359   3.022  0.00  0.00    -0.126 OA
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 13