REMARK  Name = BDB018329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.909   4.571  -0.312  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.836   3.119  -0.268  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.960   2.372  -0.593  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -6.044   2.838  -0.931  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -4.797   0.901  -0.519  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -3.634   0.340  -0.139  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -2.483   1.192   0.207  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.646   2.528   0.120  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.611  -1.139  -0.147  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -4.303  -1.869   0.830  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -4.271  -3.264   0.822  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.549  -3.940  -0.162  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.860  -3.222  -1.138  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.890  -1.827  -1.133  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1       -1.227   0.640   0.628  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        0.018   0.991   0.149  0.00  0.00    +0.117 A 
ATOM     17  N   LIG    1        0.914   0.213   0.826  0.00  0.00    -0.270 N 
ATOM     18  N   LIG    1        0.342  -0.598   1.734  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1       -0.964  -0.346   1.603  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        2.358   0.203   0.660  0.00  0.00    +0.159 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.801  -0.921  -0.285  0.00  0.00    +0.108 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.244  -1.058  -0.531  0.00  0.00    -0.296 NA
ATOM     23  C   LIG    1        5.043  -1.376   0.666  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        5.944  -0.217   1.124  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1        6.843   0.249   0.108  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        6.363   0.025  -1.224  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1        4.830   0.044  -1.311  0.00  0.00    +0.112 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 5