REMARK  Name = BDB031691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.540  -0.740  -2.058  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.025   0.520  -2.416  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        1.133   0.977  -1.776  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.814   0.242  -0.815  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.907   1.074  -0.413  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        2.910   2.221  -1.098  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        1.326  -1.034  -0.478  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        1.843   2.138  -1.901  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        1.651   2.917  -2.518  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        0.164  -1.503  -1.109  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.035  -0.305   1.810  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -2.721  -0.254   0.447  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.211  -1.245  -0.396  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.065  -1.508  -1.869  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -1.807  -1.279  -2.685  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -3.897  -2.747  -2.105  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -4.420  -3.124  -0.881  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -5.019  -3.927  -0.768  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -4.059  -3.293  -3.183  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -3.022  -0.392  -2.872  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -4.030  -2.252   0.138  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -4.373  -2.323   1.470  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -3.861  -1.331   2.309  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -1.639   1.546   2.343  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.604   0.585   2.758  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.806   0.673   0.516  0.00  0.00    -0.281 N 
ATOM     27  H   LIG    1        3.677  -0.236   0.944  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.715   1.453   1.273  0.00  0.00    +0.146 A 
ATOM     29  C   LIG    1        5.762   0.814   1.935  0.00  0.00    +0.099 A 
ATOM     30 CL   LIG    1        5.969  -0.895   1.930  0.00  0.00    -0.078 Cl
ATOM     31  C   LIG    1        6.642   1.618   2.630  0.00  0.00    +0.136 A 
ATOM     32  N   LIG    1        6.538   2.960   2.693  0.00  0.00    -0.242 NA
ATOM     33  C   LIG    1        5.504   3.483   2.021  0.00  0.00    +0.223 A 
ATOM     34  N   LIG    1        4.588   2.796   1.323  0.00  0.00    -0.219 NA
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 4