REMARK  Name = BDB018327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.030   4.724   0.374  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.184   3.292   0.171  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.415   2.792  -0.230  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.418   3.467  -0.443  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.484   1.322  -0.409  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.418   0.534  -0.174  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.143   1.130   0.263  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.096   2.470   0.408  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.627  -0.907  -0.429  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -3.410  -1.679   0.442  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.596  -3.041   0.203  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.003  -3.642  -0.906  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.224  -2.883  -1.778  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.037  -1.520  -1.542  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1        0.017   0.330   0.534  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        1.294   0.565   0.073  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1        2.100  -0.441   0.569  0.00  0.00    -0.239 N 
ATOM     18  N   LIG    1        1.388  -1.298   1.349  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1        0.138  -0.833   1.312  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.494  -0.634   0.356  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.139  -1.724   0.961  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        5.506  -1.933   0.765  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        6.238  -1.058  -0.033  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.606   0.028  -0.638  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        4.237   0.243  -0.447  0.00  0.00    +0.028 A 
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 3