REMARK  Name = BDB018325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.542   4.839  -0.395  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.634   3.400  -0.207  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.885   2.805  -0.114  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.957   3.400  -0.182  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.885   1.336   0.081  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.738   0.639   0.179  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.442   1.334   0.085  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.462   2.670  -0.106  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.897  -0.823   0.334  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -3.349  -1.366   1.545  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.491  -2.748   1.689  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.182  -3.595   0.625  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.732  -3.063  -0.583  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.591  -1.683  -0.730  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1       -0.193   0.636   0.193  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        0.890   0.768  -0.649  0.00  0.00    +0.117 A 
ATOM     17  N   LIG    1        1.850  -0.079  -0.169  0.00  0.00    -0.268 N 
ATOM     18  N   LIG    1        1.471  -0.737   0.943  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        0.223  -0.307   1.156  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.176  -0.303  -0.739  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1        3.449  -1.791  -1.010  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        4.354  -2.364   0.068  0.00  0.00    +0.162 C 
ATOM     23  O   LIG    1        5.628  -1.716   0.089  0.00  0.00    -0.380 OA
ATOM     24  C   LIG    1        5.607  -0.311  -0.155  0.00  0.00    +0.162 C 
ATOM     25  C   LIG    1        4.264   0.336   0.134  0.00  0.00    +0.055 C 
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 3