REMARK  Name = BDB017645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.803  -1.141   1.238  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.637  -0.839   0.885  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -1.073  -0.889  -0.445  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.409  -0.612  -0.758  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.339  -0.267   0.235  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -4.733   0.034  -0.170  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -5.649   0.466   0.787  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.217   0.973   1.555  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -6.938   1.022   0.391  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.502   0.212  -0.770  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.501   0.151  -1.928  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.092  -0.104  -1.463  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -4.104  -0.494  -2.504  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -4.415  -0.608  -3.686  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -2.899  -0.247   1.565  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -2.819  -0.703  -2.091  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.167  -0.970  -2.815  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.566  -0.526   1.886  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        3.752   0.888   0.348  0.00  0.00    -0.324 N 
ATOM     20  C   LIG    1        3.646   0.898   1.829  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        2.877  -0.366   2.280  0.00  0.00    +0.107 C 
ATOM     22  N   LIG    1        1.461  -0.039   1.943  0.00  0.00    -0.292 NA
ATOM     23  C   LIG    1        1.565   1.237   1.170  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1        2.577   1.972   2.046  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        2.384   1.132  -0.158  0.00  0.00    +0.124 C 
BRANCH  19  30
ATOM     26  C   LIG    1        6.753  -1.038  -1.907  0.00  0.00    +0.087 A 
ATOM     27  C   LIG    1        6.834  -0.974  -0.523  0.00  0.00    +0.142 A 
ATOM     28  F   LIG    1        7.874  -1.524   0.123  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        5.843  -0.339   0.230  0.00  0.00    +0.062 A 
ATOM     30  C   LIG    1        4.724   0.247  -0.377  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1        4.670   0.186  -1.781  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1        5.662  -0.449  -2.541  0.00  0.00    +0.023 A 
BRANCH  26  34
ATOM     33  N   LIG    1        8.583  -2.215  -3.312  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        7.773  -1.690  -2.666  0.00  0.00    +0.102 C 
ENDBRANCH  26  34
ENDBRANCH  19  30
ENDBRANCH   1  22
TORSDOF 4