REMARK  Name = BDB020995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.229  -1.234   0.575  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        1.194  -0.220   0.471  0.00  0.00    +0.144 A 
ATOM      3  F   LIG    1        0.816   1.066   0.502  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        2.564  -0.539   0.368  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        3.795   0.161   0.239  0.00  0.00    +0.106 A 
ATOM      6  N   LIG    1        4.849  -0.667   0.245  0.00  0.00    -0.170 NA
ATOM      7  N   LIG    1        4.302  -1.889   0.340  0.00  0.00    -0.266 N 
ATOM      8  C   LIG    1        5.160  -3.051   0.362  0.00  0.00    +0.173 C 
ATOM      9  C   LIG    1        2.932  -1.885   0.417  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1        2.000  -2.923   0.537  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        0.648  -2.571   0.614  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     12  C   LIG    1       -1.942   0.794  -3.880  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -3.089   1.199  -2.991  0.00  0.00    +0.213 C 
ATOM     14  N   LIG    1       -2.801   1.490  -1.667  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1       -1.578   1.072  -0.981  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1       -1.926   0.009   0.007  0.00  0.00    +0.064 A 
ATOM     17  N   LIG    1       -3.220  -0.180   0.447  0.00  0.00    -0.328 N 
ATOM     18  C   LIG    1       -3.233  -1.235   1.311  0.00  0.00    +0.114 A 
ATOM     19  N   LIG    1       -2.024  -1.726   1.467  0.00  0.00    -0.232 NA
ATOM     20  C   LIG    1       -4.368   0.572  -0.031  0.00  0.00    +0.142 C 
ATOM     21  C   LIG    1       -1.194  -0.955   0.678  0.00  0.00    +0.097 A 
ATOM     22  C   LIG    1       -3.909   1.824  -0.771  0.00  0.00    +0.129 C 
ATOM     23  O   LIG    1       -4.232   1.267  -3.444  0.00  0.00    -0.276 OA
BRANCH  18  24
ATOM     24  C   LIG    1       -4.486  -1.810   2.028  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -4.614  -3.303   2.179  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -5.507  -2.570   1.221  0.00  0.00    +0.012 C 
ENDBRANCH  18  24
ENDBRANCH   1  21
BRANCH   5  27
ATOM     27  C   LIG    1        3.986   1.604   0.118  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        5.098   2.335   0.475  0.00  0.00    +0.118 A 
ATOM     29  N   LIG    1        4.822   3.628   0.147  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        5.678   4.773   0.335  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        3.610   3.791  -0.418  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        3.109   2.550  -0.442  0.00  0.00    +0.144 A 
ENDBRANCH   5  27
TORSDOF 3