REMARK  Name = BDB017600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.345   0.740   2.053  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.033   0.547   1.457  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1        1.527  -0.741   1.214  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        2.799  -0.917   0.661  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        3.621   0.178   0.358  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        4.967  -0.079  -0.209  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1        5.835   0.990  -0.428  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        5.692   1.759   0.221  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        7.244   0.755  -0.727  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1        7.369  -0.427  -1.680  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        6.674  -1.665  -1.104  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.335  -1.345  -0.493  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        4.444  -2.498  -0.191  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        4.776  -3.654  -0.434  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        3.112   1.465   0.588  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.242  -2.214   0.389  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        2.649  -3.009   0.585  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        1.836   1.648   1.135  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1       -4.029   1.031   0.018  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1       -3.723   1.228   1.447  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -2.717   0.172   1.955  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -1.419   0.155   1.236  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -1.528   0.830  -0.082  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -2.875   0.577  -0.801  0.00  0.00    +0.120 C 
BRANCH  19  29
ATOM     25  C   LIG    1       -7.727  -0.645  -1.280  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1       -7.287  -0.867   0.024  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -6.074  -0.323   0.457  0.00  0.00    +0.148 A 
ATOM     28  F   LIG    1       -5.699  -0.621   1.711  0.00  0.00    -0.203 F 
ATOM     29  C   LIG    1       -5.252   0.457  -0.378  0.00  0.00    +0.101 A 
ATOM     30  C   LIG    1       -5.733   0.649  -1.691  0.00  0.00    +0.148 A 
ATOM     31  F   LIG    1       -5.032   1.391  -2.563  0.00  0.00    -0.203 F 
ATOM     32  C   LIG    1       -6.943   0.116  -2.142  0.00  0.00    +0.059 A 
BRANCH  25  34
ATOM     33  N   LIG    1       -9.976  -1.647  -2.090  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1       -8.969  -1.199  -1.728  0.00  0.00    +0.099 C 
ENDBRANCH  25  34
ENDBRANCH  19  29
ENDBRANCH   1  22
TORSDOF 4