REMARK  Name = BDB061073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.128  -2.657   2.394  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        3.279  -1.697   1.635  0.00  0.00    +0.240 C 
ATOM      3  C   LIG    1        2.396  -1.450   0.408  0.00  0.00    +0.217 C 
ATOM      4  C   LIG    1        1.808  -0.031   0.409  0.00  0.00    +0.148 C 
ATOM      5  N   LIG    1        0.412  -0.279   0.076  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        0.205  -1.616   0.180  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1       -0.338   0.786  -0.339  0.00  0.00    +0.189 C 
ATOM      8  N   LIG    1        0.163   1.865  -0.881  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1        1.520   1.856  -1.110  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1        2.373   0.962  -0.573  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1        3.810   0.924  -0.925  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.844   0.661  -0.011  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        6.151   0.557  -0.384  0.00  0.00    -0.258 NA
ATOM     14  C   LIG    1        6.457   0.715  -1.687  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.517   0.976  -2.660  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.601   0.492   1.468  0.00  0.00    +0.160 C 
ATOM     17  C   LIG    1        4.184   1.075  -2.272  0.00  0.00    +0.011 A 
ATOM     18  N   LIG    1        1.215  -2.399   0.413  0.00  0.00    -0.261 NA
ATOM     19  N   LIG    1        4.336  -0.873   1.898  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1        4.844  -1.182   2.719  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   7  21
ATOM     21  N   LIG    1       -1.696   0.705  -0.212  0.00  0.00    -0.312 N 
ATOM     22  H   LIG    1       -2.095   1.546  -0.625  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.308   0.466   1.088  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.804   0.464   0.955  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.494  -0.522   0.256  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.993  -1.740  -0.427  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.259  -2.138  -1.186  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.408  -1.559  -0.526  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.881  -0.506   0.176  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.644   0.475   0.776  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.975   1.482   1.470  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.575   1.470   1.553  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -3.971   2.452   2.237  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 3