REMARK  Name = BDB018854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.392  -0.115   0.017  0.00  0.00    +0.227 A 
ATOM      2  O   LIG    1        0.544   1.192   0.365  0.00  0.00    -0.339 OA
ATOM      3  N   LIG    1        1.877   1.542   0.341  0.00  0.00    -0.076 NA
ATOM      4  C   LIG    1        2.555   0.441  -0.010  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1        1.645  -0.630  -0.230  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        4.016   0.443  -0.130  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        4.728   1.654  -0.123  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        6.118   1.658  -0.241  0.00  0.00    +0.042 A 
ATOM      9 CL   LIG    1        6.973   3.152  -0.236  0.00  0.00    -0.084 Cl
ATOM     10  C   LIG    1        6.822   0.463  -0.365  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        6.130  -0.746  -0.370  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.737  -0.756  -0.253  0.00  0.00    +0.010 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     13  C   LIG    1       -1.024  -2.086  -0.474  0.00  0.00    +0.141 C 
ATOM     14  N   LIG    1       -0.882  -0.694  -0.052  0.00  0.00    -0.242 N 
ATOM     15  C   LIG    1       -1.980   0.064   0.407  0.00  0.00    +0.243 C 
ATOM     16  O   LIG    1       -1.909   1.231   0.802  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.365  -0.624   0.367  0.00  0.00    +0.170 C 
ATOM     18  N   LIG    1       -4.333  -0.062   1.359  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -5.246   0.883   0.666  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -4.753   0.949  -0.773  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -4.048  -0.382  -0.979  0.00  0.00    +0.034 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.156  -0.107   2.685  0.00  0.00    +0.170 C 
ATOM     23  N   LIG    1       -4.012  -0.190   3.830  0.00  0.00    -0.174 NA
ENDBRANCH  18  22
ENDBRANCH  15  17
ENDBRANCH   1  14
TORSDOF 4