REMARK  Name = BDB018516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.882  -1.266   0.221  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.494  -1.660  -0.077  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.179  -2.968   0.021  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.099  -3.940   0.374  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.657  -5.324   0.435  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.425  -3.637   0.651  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.289  -4.453   0.956  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.787  -2.202   0.565  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -3.683   1.888  -0.728  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1       -3.300   2.771   0.217  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1       -2.450   2.319   1.163  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1       -1.966   1.022   1.209  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -2.377   0.127   0.220  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -3.255   0.571  -0.770  0.00  0.00    +0.075 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -4.936   3.645  -1.630  0.00  0.00    +0.279 C 
ATOM     16  O   LIG    1       -4.548   2.279  -1.731  0.00  0.00    -0.480 OA
ENDBRANCH   9  16
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        0.504  -0.704  -0.461  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.766  -0.587   0.079  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.415   0.434  -0.586  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.570   1.026  -1.480  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.445   0.315  -1.423  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.740   0.941  -0.425  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1        4.794   0.250   0.194  0.00  0.00    +0.066 A 
ATOM     24 CL   LIG    1        4.749  -1.398   0.717  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1        6.047   0.873   0.336  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        6.270   2.162  -0.145  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.245   2.840  -0.788  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.995   2.235  -0.932  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4