REMARK  Name = BDB018469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.706  -0.332   0.589  0.00  0.00    -0.238 N 
ATOM      2  N   LIG    1        1.058   0.622   1.314  0.00  0.00    -0.174 NA
ATOM      3  C   LIG    1       -0.222   0.247   1.313  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.440  -0.911   0.552  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.809  -1.249   0.079  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.663  -1.609   0.281  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.863  -0.915  -0.217  0.00  0.00    -0.002 A 
ATOM      8  C   LIG    1       -3.993  -1.609  -0.451  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -4.068  -3.071  -0.211  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -5.125  -3.656  -0.424  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -2.900  -3.666   0.244  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -2.886  -5.098   0.503  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.745  -2.941   0.479  0.00  0.00    +0.098 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -2.921   0.524  -0.535  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.633   1.420   0.262  0.00  0.00    +0.123 A 
ATOM     16  N   LIG    1       -3.711   2.751   0.033  0.00  0.00    -0.221 NA
ATOM     17  C   LIG    1       -3.047   3.217  -1.046  0.00  0.00    +0.214 A 
ATOM     18  C   LIG    1       -2.313   2.413  -1.904  0.00  0.00    +0.068 A 
ATOM     19  C   LIG    1       -2.250   1.046  -1.643  0.00  0.00    +0.015 A 
BRANCH  17  20
ATOM     20  O   LIG    1       -3.076   4.564  -1.349  0.00  0.00    -0.480 OA
ATOM     21  C   LIG    1       -3.842   5.327  -0.423  0.00  0.00    +0.279 C 
ENDBRANCH  17  20
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  24
ATOM     22  C   LIG    1        5.071   1.238   0.327  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        3.719   1.027   0.608  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        3.113  -0.229   0.378  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1        3.910  -1.287  -0.085  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1        5.263  -1.067  -0.387  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.833   0.189  -0.187  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        5.038   3.502   1.058  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        5.755   2.410   0.494  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  25  30
ATOM     30  C   LIG    1        3.477  -2.690  -0.184  0.00  0.00    +0.339 C 
ATOM     31  O   LIG    1        3.580  -3.409  -1.157  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        3.017  -3.131   0.998  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        2.857  -4.088   0.862  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH   1  24
TORSDOF 7