REMARK  Name = BDB020543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.951  -1.044   0.326  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.935  -0.326  -0.555  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -2.594  -0.380   0.008  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -1.696  -1.340  -0.402  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -0.544  -1.086   0.303  0.00  0.00    +0.097 A 
ATOM      6  N   LIG    1       -0.727  -0.003   1.119  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -2.077  -2.359  -1.397  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -2.972  -1.758  -2.370  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -3.079  -2.423  -3.656  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -1.975   0.408   0.955  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -3.998  -0.911  -1.970  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -4.951  -0.640  -2.705  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.711  -1.813   0.230  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.946  -1.141   0.006  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.143  -1.893  -0.042  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.364  -1.244  -0.272  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        4.385   0.134  -0.460  0.00  0.00    +0.091 A 
ATOM     18  N   LIG    1        3.261   0.884  -0.423  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        3.102  -3.285   0.135  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        1.892  -3.937   0.356  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        2.090   0.243  -0.192  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        0.713  -3.203   0.403  0.00  0.00    +0.133 A 
ATOM     23  F   LIG    1       -0.432  -3.870   0.620  0.00  0.00    -0.205 F 
BRANCH  17  24
ATOM     24  C   LIG    1        5.654   0.838  -0.698  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        5.756   1.888  -1.533  0.00  0.00    -0.170 NA
ATOM     26  N   LIG    1        7.043   2.255  -1.468  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.491   3.391  -2.236  0.00  0.00    +0.172 C 
ATOM     28  C   LIG    1        7.795   1.469  -0.650  0.00  0.00    +0.108 A 
ATOM     29  C   LIG    1        6.927   0.539  -0.131  0.00  0.00    +0.051 A 
ENDBRANCH  17  24
ENDBRANCH   5  13
BRANCH  10  30
ATOM     30  C   LIG    1       -2.524   1.541   1.785  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -2.991   1.047   3.160  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -3.429   2.226   4.020  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -4.423   3.005   3.353  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -3.945   3.558   2.126  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -3.587   2.436   1.158  0.00  0.00    +0.039 C 
ENDBRANCH  10  30
TORSDOF 3