REMARK  Name = BDB017650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.593  -1.568  -0.519  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.848  -1.233  -0.197  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -1.792  -1.096  -1.225  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.123  -0.798  -0.924  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.550  -0.621   0.400  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -4.973  -0.294   0.651  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -5.393  -0.066   1.958  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.731   0.484   2.501  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -6.792   0.176   2.283  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.478   0.918   1.142  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -7.266   0.186  -0.188  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.828  -0.210  -0.387  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -5.374  -0.438  -1.785  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.150  -0.389  -2.735  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -2.606  -0.783   1.424  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.045  -0.693  -1.970  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.752  -0.836  -2.926  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.271  -1.083   1.130  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  21
ATOM     19  C   LIG    1        0.706   1.825  -1.296  0.00  0.00    +0.026 C 
ATOM     20  C   LIG    1        1.516   0.700  -0.643  0.00  0.00    +0.071 C 
ATOM     21  N   LIG    1        1.237  -0.564  -1.388  0.00  0.00    -0.293 NA
ATOM     22  C   LIG    1        2.484  -1.108  -1.963  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1        3.667  -1.238  -0.976  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1        3.865  -0.009  -0.177  0.00  0.00    -0.325 N 
ATOM     25  C   LIG    1        3.015   1.131  -0.567  0.00  0.00    +0.123 C 
BRANCH  24  26
ATOM     26  C   LIG    1        5.163   0.218   0.299  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        5.827   1.461   0.246  0.00  0.00    +0.146 A 
ATOM     28  F   LIG    1        5.251   2.526  -0.334  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        7.116   1.647   0.753  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        7.789   0.582   1.345  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1        7.163  -0.662   1.425  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        5.870  -0.834   0.911  0.00  0.00    +0.027 A 
BRANCH  30  33
ATOM     33  C   LIG    1        9.110   0.763   1.868  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1       10.181   0.907   2.292  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  24  26
ENDBRANCH   1  21
TORSDOF 4