REMARK  Name = BDB018935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.400   1.537   0.083  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.898   0.977   0.010  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.040   1.736   0.327  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.322   1.167   0.234  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.502  -0.165  -0.162  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.379  -0.944  -0.473  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.929   3.187   0.719  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.518   3.548   1.149  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.099  -0.355  -0.397  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.477   3.005   0.134  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1       -3.948   0.658  -0.889  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.101  -0.462  -0.071  0.00  0.00    +0.091 A 
ATOM     13  N   LIG    1       -5.169  -1.377   0.079  0.00  0.00    -0.293 N 
ATOM     14  C   LIG    1       -4.818  -2.349   1.042  0.00  0.00    +0.330 A 
ATOM     15  N   LIG    1       -3.531  -2.011   1.494  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1       -2.757  -2.763   2.439  0.00  0.00    +0.154 C 
ATOM     17  O   LIG    1       -5.494  -3.299   1.405  0.00  0.00    -0.246 OA
ATOM     18  C   LIG    1       -6.372  -1.430  -0.696  0.00  0.00    +0.154 C 
ATOM     19  C   LIG    1       -3.086  -0.879   0.800  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1       -1.868  -0.239   0.885  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1       -1.641   0.858   0.045  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -2.679   1.274  -0.834  0.00  0.00    +0.048 A 
BRANCH  11  24
ATOM     23  C   LIG    1       -4.837   2.322  -2.492  0.00  0.00    +0.125 C 
ATOM     24  N   LIG    1       -4.949   1.064  -1.778  0.00  0.00    -0.345 N 
ATOM     25  H   LIG    1       -5.867   0.945  -1.358  0.00  0.00    +0.146 HD
ENDBRANCH  11  24
ENDBRANCH   1  21
BRANCH   5  26
ATOM     26  C   LIG    1        4.850  -0.688  -0.243  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.720  -0.762   0.825  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.870  -1.310   0.337  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.080  -1.592   1.071  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.810  -1.602  -0.975  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.582  -1.214  -1.330  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        2.495  -2.382  -0.910  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        1.316  -3.066  -0.831  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        2.896  -2.499  -2.207  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4