REMARK  Name = BDB014335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.464   0.038  -1.730  0.00  0.00    -0.343 N 
ATOM      2  C   LIG    1       -1.401  -0.739  -1.067  0.00  0.00    +0.094 A 
ATOM      3  C   LIG    1       -1.359  -1.997  -1.673  0.00  0.00    +0.093 A 
ATOM      4  N   LIG    1       -2.074  -3.059  -1.258  0.00  0.00    -0.220 NA
ATOM      5  C   LIG    1       -2.846  -2.806  -0.192  0.00  0.00    +0.240 A 
ATOM      6  N   LIG    1       -2.985  -1.623   0.442  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1       -0.483  -1.934  -2.776  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.284  -0.554   0.000  0.00  0.00    +0.101 A 
ATOM      9  C   LIG    1        0.019  -0.657  -2.819  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.568   0.696   0.684  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -2.253   0.879   2.037  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -2.555   2.084   2.663  0.00  0.00    +0.060 A 
ATOM     13 CL   LIG    1       -2.150   2.336   4.312  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -3.179   3.076   1.924  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1       -3.522   2.938   0.621  0.00  0.00    -0.261 NA
ATOM     16  C   LIG    1       -3.230   1.746   0.045  0.00  0.00    +0.120 A 
ENDBRANCH   8  10
BRANCH   5  17
ATOM     17  C   LIG    1       -3.660  -3.946   0.364  0.00  0.00    +0.374 C 
ATOM     18  O   LIG    1       -4.408  -3.908   1.327  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -3.502  -5.105  -0.317  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -4.083  -5.737   0.153  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   1  21
ATOM     21  C   LIG    1       -0.017   1.388  -1.420  0.00  0.00    +0.125 C 
BRANCH  21  26
ATOM     22  C   LIG    1        4.891   0.042   0.923  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        3.408  -0.250   0.689  0.00  0.00    -0.014 C 
ATOM     24  C   LIG    1        3.072  -0.294  -0.813  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1        2.551   1.042  -1.333  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        1.284   1.520  -0.595  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        1.167   0.920   0.817  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        2.541   0.760   1.459  0.00  0.00    +0.003 C 
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5