REMARK  Name = BDB003845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.851  -1.759  -0.642  0.00  0.00    -0.286 NA
ATOM      2  C   LIG    1        0.123  -0.791  -1.490  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.071  -0.938  -0.506  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1       -1.927   0.316  -0.184  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -1.546   1.428   0.161  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.247  -0.025  -0.350  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -3.433  -1.353  -0.650  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -4.504  -1.936  -0.733  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.094  -2.016  -0.857  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1        0.025  -1.354   0.517  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -4.327   0.877   0.034  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1       -4.811   0.507   1.440  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.134  -0.119   2.254  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.059   0.979   1.783  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.378   0.746   2.713  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.980   1.592   0.970  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.091   1.899   1.391  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.530   1.921  -0.436  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.503   0.917  -0.938  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  C   LIG    1        2.317  -1.530  -0.496  0.00  0.00    +0.114 C 
ATOM     21  C   LIG    1        2.968  -1.807  -1.865  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1        2.824  -2.583   0.512  0.00  0.00    +0.039 C 
BRANCH  20  23
ATOM     23  C   LIG    1        2.763  -0.117  -0.027  0.00  0.00    +0.328 C 
ATOM     24  O   LIG    1        2.048   0.868   0.085  0.00  0.00    -0.249 OA
BRANCH  23  25
ATOM     25  O   LIG    1        4.107  -0.115   0.221  0.00  0.00    -0.458 OA
BRANCH  25  27
ATOM     26  C   LIG    1        4.716   2.192  -0.393  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        4.787   1.087   0.667  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1        6.254   0.663   0.834  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        4.256   1.557   2.025  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5