REMARK  Name = BDB002753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.709   2.379  -0.066  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -2.570   1.424   0.244  0.00  0.00    -0.141 NA
ATOM      3  C   LIG    1       -2.010   0.238   0.410  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.714  -0.035   0.303  0.00  0.00    -0.161 NA
ATOM      5  C   LIG    1        0.063   0.998   0.002  0.00  0.00    +0.228 A 
ATOM      6  N   LIG    1       -0.395   2.229  -0.185  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        1.444   0.867  -0.135  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        1.831   1.774  -0.363  0.00  0.00    +0.155 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.341  -0.204  -0.052  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        3.709   0.056  -0.230  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1        4.654  -0.980  -0.150  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        4.252  -2.293   0.109  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        2.898  -2.561   0.289  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.958  -1.525   0.210  0.00  0.00    +0.023 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.077  -0.680  -0.341  0.00  0.00    +0.056 N 
ATOM     16  O   LIG    1        6.393   0.496  -0.573  0.00  0.00    -0.126 OA
ATOM     17  O   LIG    1        6.881  -1.620  -0.261  0.00  0.00    -0.126 OA
ENDBRANCH  11  15
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  18
ATOM     18  O   LIG    1       -2.147   3.671  -0.253  0.00  0.00    -0.449 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.563   3.806  -0.365  0.00  0.00    +0.320 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.392   3.270  -2.848  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1       -4.020   3.512  -1.732  0.00  0.00    -0.065 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH   3  22
ATOM     22  O   LIG    1       -2.899  -0.764   0.730  0.00  0.00    -0.449 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.277  -2.034   0.887  0.00  0.00    +0.320 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.308  -3.030   1.217  0.00  0.00    -0.065 C 
ATOM     25  C   LIG    1       -4.150  -3.843   1.486  0.00  0.00    +0.007 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 9