REMARK  Name = BDB018693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.923   0.411   0.329  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.020  -0.628   0.593  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -0.343  -0.355   0.675  0.00  0.00    +0.096 A 
ATOM      4  N   LIG    1       -1.252  -1.373   0.968  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1       -0.941  -2.296   1.245  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.600  -1.125   1.010  0.00  0.00    +0.263 C 
ATOM      7  C   LIG    1       -3.021   0.247   0.436  0.00  0.00    +0.205 C 
ATOM      8  C   LIG    1       -4.386   0.673   1.012  0.00  0.00    +0.174 C 
ATOM      9  N   LIG    1       -5.417   0.364  -0.032  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1       -4.746  -0.365  -1.131  0.00  0.00    +0.121 C 
ATOM     11  O   LIG    1       -2.093   1.314   0.636  0.00  0.00    -0.457 OA
ATOM     12  C   LIG    1       -3.307   0.115  -1.067  0.00  0.00    +0.079 C 
ATOM     13  O   LIG    1       -3.380  -1.994   1.387  0.00  0.00    -0.271 OA
ATOM     14  C   LIG    1       -0.778   0.956   0.502  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1        0.055   1.983   0.254  0.00  0.00    -0.219 NA
ATOM     16  C   LIG    1        1.375   1.687   0.168  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        6.154  -0.287   0.046  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        5.263  -1.045  -0.718  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        3.885  -0.816  -0.624  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        3.370   0.172   0.232  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        4.281   0.925   0.993  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        5.659   0.699   0.903  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1        8.707  -0.713  -0.124  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        7.565  -0.521  -0.047  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   9  25
ATOM     25  C   LIG    1       -6.728   0.271   0.232  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1       -7.859   0.189   0.458  0.00  0.00    -0.174 NA
ENDBRANCH   9  25
TORSDOF 3