REMARK  Name = BDB018515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.300   1.869  -0.340  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        0.156   1.877  -0.557  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.752   3.064  -0.785  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.053   4.258  -0.832  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.788   5.483  -1.107  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.323   4.317  -0.660  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.000   5.339  -0.712  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.993   3.021  -0.389  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -3.496  -1.594   0.665  0.00  0.00    +0.217 A 
ATOM     10  C   LIG    1       -3.670  -1.070  -0.616  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -4.593  -1.714  -1.604  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -2.946   0.080  -0.952  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -2.085   0.662  -0.017  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.990   0.054   1.231  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1       -2.676  -1.053   1.594  0.00  0.00    -0.221 NA
BRANCH   9  17
ATOM     16  C   LIG    1       -3.942  -3.224   2.287  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1       -4.219  -2.727   0.983  0.00  0.00    -0.479 OA
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   2  18
ATOM     18  C   LIG    1        0.925   0.669  -0.542  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        2.038   0.418   0.230  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        2.473  -0.865  -0.070  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1        1.687  -1.413  -1.025  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        0.755  -0.501  -1.293  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.565  -1.570   0.529  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        4.084  -2.776   0.018  0.00  0.00    +0.066 A 
ATOM     25 CL   LIG    1        3.582  -3.562  -1.441  0.00  0.00    -0.081 Cl
ATOM     26  C   LIG    1        5.145  -3.416   0.683  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.699  -2.878   1.842  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.200  -1.688   2.350  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.144  -1.039   1.702  0.00  0.00    +0.029 A 
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 4