REMARK  Name = BDB020997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.316  -0.900   1.399  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        1.243  -0.580   0.382  0.00  0.00    +0.144 A 
ATOM      3  F   LIG    1        1.028   0.447  -0.442  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        2.345  -1.446   0.302  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        2.514  -2.599   1.165  0.00  0.00    +0.096 A 
ATOM      6  N   LIG    1        3.611  -3.273   0.808  0.00  0.00    -0.171 NA
ATOM      7  N   LIG    1        4.122  -2.585  -0.231  0.00  0.00    -0.265 N 
ATOM      8  C   LIG    1        5.359  -3.075  -0.793  0.00  0.00    +0.173 C 
ATOM      9  C   LIG    1        1.601  -2.899   2.190  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        3.424  -1.440  -0.566  0.00  0.00    +0.082 A 
ATOM     11  C   LIG    1        0.511  -2.009   2.282  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     12  C   LIG    1       -2.221   0.315  -3.646  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -3.390   0.626  -2.744  0.00  0.00    +0.213 C 
ATOM     14  N   LIG    1       -3.173   0.554  -1.372  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1       -1.964  -0.049  -0.802  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1       -1.823   0.246   0.648  0.00  0.00    +0.064 A 
ATOM     17  N   LIG    1       -2.766   0.952   1.357  0.00  0.00    -0.328 N 
ATOM     18  C   LIG    1       -2.382   1.002   2.665  0.00  0.00    +0.114 A 
ATOM     19  N   LIG    1       -1.249   0.360   2.843  0.00  0.00    -0.232 NA
ATOM     20  C   LIG    1       -3.965   1.501   0.764  0.00  0.00    +0.142 C 
ATOM     21  C   LIG    1       -0.876  -0.095   1.597  0.00  0.00    +0.097 A 
ATOM     22  C   LIG    1       -4.329   0.710  -0.484  0.00  0.00    +0.129 C 
ATOM     23  O   LIG    1       -4.477   0.944  -3.228  0.00  0.00    -0.276 OA
BRANCH  18  24
ATOM     24  C   LIG    1       -3.150   1.710   3.816  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -3.085   1.126   5.202  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -4.357   1.033   4.412  0.00  0.00    +0.012 C 
ENDBRANCH  18  24
ENDBRANCH   1  21
BRANCH  10  27
ATOM     27  C   LIG    1        3.846  -0.415  -1.678  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        3.359   0.857  -1.874  0.00  0.00    +0.118 A 
ATOM     29  N   LIG    1        4.032   1.377  -2.943  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        3.870   2.690  -3.518  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        4.942   0.535  -3.458  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        4.832  -0.548  -2.685  0.00  0.00    +0.144 A 
ENDBRANCH  10  27
TORSDOF 3