REMARK  Name = BDB017703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.281  -1.265   2.091  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.046  -0.851   1.492  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -1.339  -1.127   0.149  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.568  -0.746  -0.398  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.546  -0.106   0.376  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -4.835   0.255  -0.262  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -5.855   0.805   0.513  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.834   0.491   1.479  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -7.210   0.923  -0.015  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.150   1.366  -1.472  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.276   0.413  -2.294  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.005   0.034  -1.582  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -3.950  -0.624  -2.400  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -4.103  -0.842  -3.599  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -3.240   0.180   1.715  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -2.807  -0.994  -1.753  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.101  -1.437  -2.324  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -2.008  -0.193   2.268  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        3.916   0.631   0.860  0.00  0.00    -0.322 N 
ATOM     20  C   LIG    1        3.565  -0.037   2.133  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        2.723  -1.305   1.843  0.00  0.00    +0.107 C 
ATOM     22  N   LIG    1        1.427  -0.768   1.326  0.00  0.00    -0.292 NA
ATOM     23  C   LIG    1        1.616   0.715   1.416  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1        2.474   0.893   2.664  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        2.636   1.145   0.309  0.00  0.00    +0.124 C 
BRANCH  19  30
ATOM     26  C   LIG    1        7.199  -0.371  -1.615  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.236   0.526  -2.064  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        5.154   0.851  -1.242  0.00  0.00    +0.146 A 
ATOM     29  F   LIG    1        4.276   1.746  -1.724  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        4.975   0.294   0.043  0.00  0.00    +0.066 A 
ATOM     31  C   LIG    1        5.978  -0.592   0.470  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1        7.070  -0.928  -0.343  0.00  0.00    +0.021 A 
BRANCH  26  34
ATOM     33  N   LIG    1        9.220  -0.992  -3.116  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        8.315  -0.712  -2.446  0.00  0.00    +0.099 C 
ENDBRANCH  26  34
ENDBRANCH  19  30
ENDBRANCH   1  22
TORSDOF 4