REMARK  Name = BDB020544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.097   0.530   0.142  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1        2.947   0.891  -0.462  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1        1.788   0.406   0.048  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        1.683  -0.461   1.149  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.909  -0.828   1.750  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.914  -1.700   2.850  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        1.723  -2.211   3.357  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        0.516  -1.855   2.769  0.00  0.00    +0.133 A 
ATOM      9  F   LIG    1       -0.610  -2.371   3.288  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        0.466  -0.988   1.669  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.115  -0.324   1.240  0.00  0.00    +0.037 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -0.822  -0.635   1.099  0.00  0.00    +0.097 A 
ATOM     13  C   LIG    1       -1.816  -1.498   0.701  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -1.954  -2.968   0.649  0.00  0.00    +0.163 C 
ATOM     15  N   LIG    1       -2.759  -3.317  -0.518  0.00  0.00    -0.297 N 
ATOM     16  C   LIG    1       -3.887  -2.579  -0.874  0.00  0.00    +0.238 C 
ATOM     17  C   LIG    1       -4.116  -1.261  -0.131  0.00  0.00    +0.171 C 
ATOM     18  C   LIG    1       -5.032  -1.527   1.065  0.00  0.00    +0.041 C 
ATOM     19  O   LIG    1       -4.705  -2.969  -1.710  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -2.587  -4.651  -1.062  0.00  0.00    +0.132 C 
ATOM     21  N   LIG    1       -2.845  -0.688   0.279  0.00  0.00    -0.318 N 
ATOM     22  C   LIG    1       -2.393   0.610   0.276  0.00  0.00    +0.115 A 
ATOM     23  N   LIG    1       -1.192   0.658   0.825  0.00  0.00    -0.232 NA
BRANCH  22  24
ATOM     24  C   LIG    1       -3.064   1.818  -0.323  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1       -4.425   2.164   0.289  0.00  0.00    +0.039 C 
ATOM     26  C   LIG    1       -5.339   2.846  -0.724  0.00  0.00    +0.160 C 
ATOM     27  O   LIG    1       -4.584   3.728  -1.544  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -3.688   3.049  -2.426  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -3.122   1.752  -1.850  0.00  0.00    +0.039 C 
ENDBRANCH  22  24
ENDBRANCH  10  12
BRANCH   1  32
ATOM     30  C   LIG    1        4.562   1.972  -2.783  0.00  0.00    +0.068 C 
ATOM     31  C   LIG    1        5.539   1.714  -1.694  0.00  0.00    +0.069 A 
ATOM     32  C   LIG    1        5.315   1.082  -0.435  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        6.553   1.118   0.180  0.00  0.00    +0.118 A 
ATOM     34  N   LIG    1        7.402   1.727  -0.696  0.00  0.00    -0.274 N 
ATOM     35  C   LIG    1        8.803   2.004  -0.499  0.00  0.00    +0.172 C 
ATOM     36  N   LIG    1        6.817   2.090  -1.847  0.00  0.00    -0.176 NA
ENDBRANCH   1  32
TORSDOF 3