REMARK  Name = BDB018852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.002   1.677   0.274  0.00  0.00    +0.227 A 
ATOM      2  O   LIG    1        0.944   2.610  -0.052  0.00  0.00    -0.339 OA
ATOM      3  N   LIG    1        2.205   2.063   0.014  0.00  0.00    -0.076 NA
ATOM      4  C   LIG    1        2.042   0.794   0.409  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1        0.661   0.525   0.623  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        3.183  -0.094   0.617  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        3.225  -1.417   0.145  0.00  0.00    +0.050 A 
ATOM      8 CL   LIG    1        1.950  -2.124  -0.791  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        4.344  -2.221   0.394  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        5.432  -1.717   1.107  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.408  -0.405   1.570  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.294   0.402   1.325  0.00  0.00    +0.011 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     13  C   LIG    1       -1.604   3.542   0.234  0.00  0.00    +0.141 C 
ATOM     14  N   LIG    1       -1.327   2.104   0.225  0.00  0.00    -0.242 N 
ATOM     15  C   LIG    1       -2.430   1.251   0.312  0.00  0.00    +0.243 C 
ATOM     16  O   LIG    1       -3.529   1.691   0.676  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.303  -0.215  -0.148  0.00  0.00    +0.170 C 
ATOM     18  N   LIG    1       -3.616  -0.957  -0.100  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -3.858  -1.613  -1.406  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -2.501  -1.613  -2.086  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -1.890  -0.307  -1.621  0.00  0.00    +0.034 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.267  -1.258   1.031  0.00  0.00    +0.170 C 
ATOM     23  N   LIG    1       -4.801  -1.564   2.011  0.00  0.00    -0.174 NA
ENDBRANCH  18  22
ENDBRANCH  15  17
ENDBRANCH   1  14
TORSDOF 4