REMARK  Name = BDB017566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.381   1.138   2.140  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.802   0.204   1.110  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.444  -0.144  -0.104  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.842  -1.156  -0.885  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.506  -1.675  -2.002  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -3.107  -2.442  -2.525  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.755  -1.295  -2.387  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.354  -0.147  -1.664  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.662   0.370  -2.203  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.326   1.379  -1.264  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.295   2.362  -0.730  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -5.210   1.627  -0.087  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.458   2.242   0.210  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -5.330  -1.850  -3.319  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.602  -1.716  -0.557  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.929  -1.305   0.591  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.718   0.440  -0.628  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.544  -0.359   1.419  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.415  -1.895   0.960  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.482  -0.888   1.062  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.725  -1.470   1.625  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.807  -1.819   0.579  0.00  0.00    +0.120 C 
ATOM     23  N   LIG    1        4.214  -0.633  -0.207  0.00  0.00    -0.325 N 
ATOM     24  C   LIG    1        3.150   0.394  -0.354  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        1.744  -0.240  -0.248  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.474  -0.058   0.034  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        6.174  -0.122   1.254  0.00  0.00    +0.146 A 
ATOM     28  F   LIG    1        5.640  -0.737   2.321  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        7.424   0.475   1.424  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        8.015   1.163   0.366  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1        7.346   1.250  -0.856  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        6.092   0.648  -1.014  0.00  0.00    +0.027 A 
BRANCH  30  33
ATOM     33  C   LIG    1        9.298   1.779   0.533  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1       10.337   2.278   0.669  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 4