REMARK  Name = BDB018941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.062  -1.025   0.887  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -1.222  -0.558   0.520  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.346  -0.802   1.329  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.614  -0.329   0.946  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.799   0.391  -0.244  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.688   0.667  -1.054  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.221  -1.533   2.641  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.916  -2.303   2.738  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.422   0.183  -0.658  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.237  -1.413   2.296  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.967  -0.090  -0.027  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        3.619  -0.551  -0.224  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        3.545  -1.137  -1.490  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        2.356  -1.686  -1.988  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        1.216  -1.632  -1.176  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        1.234  -1.052   0.098  0.00  0.00    +0.035 A 
ATOM     17  N   LIG    1        4.801  -1.050  -2.044  0.00  0.00    -0.349 N 
ATOM     18  C   LIG    1        5.166  -1.554  -3.350  0.00  0.00    +0.149 C 
ATOM     19  C   LIG    1        2.446  -0.514   0.567  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        5.662  -0.425  -1.180  0.00  0.00    +0.099 A 
BRANCH  11  24
ATOM     21  C   LIG    1        7.322   1.955   2.053  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        6.740   1.158   1.005  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        7.097   1.264   0.067  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.497   0.578   1.164  0.00  0.00    +0.246 C 
ATOM     25  O   LIG    1        4.877   0.637   2.222  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -5.141   0.818  -0.585  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.921   1.636   0.205  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -7.100   1.793  -0.463  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -8.233   2.584  -0.049  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -7.159   1.109  -1.619  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.958   0.527  -1.699  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -2.788   1.460  -2.331  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -3.474   2.629  -2.197  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -3.400   0.768  -3.333  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4