REMARK  Name = BDB018318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.231   4.263   0.318  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.536   2.988   0.405  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.161   1.914   1.024  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.282   1.939   1.522  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.381   0.654   1.067  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.139   0.575   0.552  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.532   1.760  -0.083  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.261   2.893  -0.126  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.491  -0.754   0.647  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.248  -1.509  -0.509  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -0.619  -2.754  -0.422  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.239  -3.253   0.822  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        0.519  -4.793   0.933  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.475  -2.515   1.980  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.098  -1.267   1.893  0.00  0.00    +0.010 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.218   1.726  -0.657  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        0.929   1.240  -0.072  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        1.912   1.346  -1.017  0.00  0.00    -0.267 N 
ATOM     19  N   LIG    1        1.499   1.961  -2.148  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        0.198   2.172  -1.930  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.286   0.880  -0.894  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.365  -0.625  -0.990  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        3.637  -1.402   0.145  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.691  -2.793   0.051  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.473  -3.421  -1.174  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.199  -2.660  -2.308  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.145  -1.269  -2.217  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 4