REMARK  Name = BDB017035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.007  -0.942   0.746  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        1.150  -0.236   0.544  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.156  -1.183   0.501  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.620  -2.438   0.712  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.331  -2.257   0.875  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.581  -0.929   0.286  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.422  -1.956   0.566  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.745  -1.769   0.381  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.292  -0.589  -0.077  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.421   0.460  -0.361  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.046   0.293  -0.180  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.904   1.767  -0.857  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        5.206   2.731  -1.111  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.239   1.806  -1.010  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.414   2.713  -1.340  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.332  -0.380   0.945  0.00  0.00    +0.133 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -2.446  -1.612  -0.943  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -2.255  -0.208  -0.322  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1       -1.511   0.725  -1.306  0.00  0.00    +0.017 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -3.647   0.406   0.045  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -4.681   0.673  -0.890  0.00  0.00    +0.045 A 
ATOM     22 CL   LIG    1       -4.580   0.366  -2.592  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -5.910   1.227  -0.486  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -6.155   1.533   0.846  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.169   1.286   1.785  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.942   0.735   1.392  0.00  0.00    +0.005 A 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6