REMARK  Name = BDB011608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.451   2.016   1.815  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.887   1.943   1.513  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -1.462   2.358   2.242  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.826   2.891   2.598  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.598   1.327   0.522  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -3.043   1.002   0.760  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1       -3.573   1.185   1.846  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.525   0.422  -0.419  0.00  0.00    -0.213 N 
ATOM      9  N   LIG    1       -2.457   0.350  -1.358  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1       -2.842   0.707  -2.731  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1       -1.345   0.966  -0.749  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -0.117   1.252  -1.557  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.570  -0.538  -0.425  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1       -5.764  -0.309   0.271  0.00  0.00    +0.149 A 
ATOM     15  F   LIG    1       -5.989   0.862   0.885  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1       -6.792  -1.252   0.280  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -6.643  -2.449  -0.416  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -5.470  -2.693  -1.126  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.442  -1.743  -1.135  0.00  0.00    +0.031 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  25
ATOM     20  C   LIG    1        3.624   2.306   1.418  0.00  0.00    +0.068 C 
ATOM     21  C   LIG    1        2.763   1.120   1.195  0.00  0.00    +0.074 A 
ATOM     22  N   LIG    1        3.177  -0.141   0.779  0.00  0.00    -0.216 N 
ATOM     23  N   LIG    1        2.078  -0.898   0.522  0.00  0.00    -0.060 NA
ATOM     24  N   LIG    1        1.000  -0.238   0.904  0.00  0.00    -0.124 NA
ATOM     25  C   LIG    1        1.380   1.011   1.305  0.00  0.00    +0.170 A 
BRANCH  22  26
ATOM     26  C   LIG    1        4.473  -0.709   0.597  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        5.636  -0.114   1.104  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        6.885  -0.714   0.900  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        6.981  -1.913   0.200  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        8.520  -2.642  -0.045  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        5.836  -2.528  -0.293  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        4.587  -1.933  -0.090  0.00  0.00    +0.029 A 
ENDBRANCH  22  26
ENDBRANCH   1  25
TORSDOF 4