REMARK  Name = BDB018317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.087   4.382  -1.827  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.648   3.110  -1.398  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.027   2.961  -1.340  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -3.846   3.830  -1.622  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.512   1.632  -0.893  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.657   0.638  -0.590  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.205   0.859  -0.695  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.781   2.078  -1.085  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.277  -0.619  -0.117  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -3.174  -0.987   1.231  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.745  -2.180   1.672  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1       -3.611  -2.629   3.328  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.424  -3.012   0.783  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -4.532  -2.650  -0.560  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.961  -1.458  -1.009  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.259  -0.177  -0.400  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        0.818  -0.078   0.453  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        1.446  -1.293   0.414  0.00  0.00    -0.267 N 
ATOM     19  N   LIG    1        0.839  -2.180  -0.403  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -0.196  -1.495  -0.899  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        2.623  -1.690   1.177  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.870  -0.997   0.685  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        4.384  -1.278  -0.590  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.537  -0.638  -1.046  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.189   0.287  -0.234  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.689   0.574   1.035  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.536  -0.065   1.495  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 4