REMARK  Name = BDB050737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.099  -0.924  -0.645  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        1.100  -2.085  -1.408  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1        0.214  -2.261  -2.400  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1        2.023  -3.083  -1.128  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1        2.020  -4.219  -1.839  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1        2.961  -2.926  -0.108  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        2.999  -1.741   0.643  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1        2.049  -0.743   0.371  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1        0.656   1.258  -1.237  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.163   0.170  -0.948  0.00  0.00    +0.250 C 
ATOM     11  N   LIG    1       -1.211  -0.062  -0.894  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1       -2.085   1.095  -1.147  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1       -3.482   0.676  -1.633  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1       -4.053  -0.332  -0.732  0.00  0.00    -0.296 N 
ATOM     15  C   LIG    1       -4.883  -0.028   0.349  0.00  0.00    +0.245 C 
ATOM     16  O   LIG    1       -4.989  -0.801   1.305  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.214  -1.528  -0.627  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1       -1.819  -1.152  -0.102  0.00  0.00    +0.127 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -5.694   1.291   0.288  0.00  0.00    +0.204 C 
ATOM     20  O   LIG    1       -6.380   1.573   1.517  0.00  0.00    -0.367 OA
ATOM     21  C   LIG    1       -7.772   1.276   1.353  0.00  0.00    +0.161 C 
ATOM     22  C   LIG    1       -7.941   0.647  -0.012  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -6.776   1.224  -0.779  0.00  0.00    +0.043 C 
ENDBRANCH  15  19
ENDBRANCH   1  10
BRANCH   7  24
ATOM     24  C   LIG    1        4.011  -1.584   1.758  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.659  -0.207   1.816  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        5.718   0.162   0.841  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        6.258   1.442   0.945  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        7.258   1.869   0.063  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        7.719   1.007  -0.931  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.183  -0.276  -1.040  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.769   2.346   1.999  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1        6.223   3.476   2.134  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        4.786   1.844   2.816  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1        4.433   2.457   3.545  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1        6.185  -0.702  -0.157  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1        4.234   0.604   2.740  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 4