REMARK  Name = BDB053895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.270   2.299   0.064  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.203   1.111  -0.262  0.00  0.00    +0.224 C 
ATOM      3  N   LIG    1        0.969   0.581  -0.823  0.00  0.00    -0.294 N 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.360   0.141   0.016  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -2.736   0.837   0.073  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -3.854  -0.149  -0.220  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1       -4.268   0.005  -1.544  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -5.258  -0.789  -2.103  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -5.854  -1.749  -1.293  0.00  0.00    +0.159 A 
ATOM     10  C   LIG    1       -5.461  -1.902   0.037  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -6.047  -2.831   0.806  0.00  0.00    -0.202 F 
ATOM     12  F   LIG    1       -6.815  -2.531  -1.804  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -3.489   1.091  -2.181  0.00  0.00    +0.196 C 
ATOM     14  C   LIG    1       -4.457  -1.104   0.587  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1       -2.883   1.753  -1.057  0.00  0.00    -0.363 OA
ATOM     16  C   LIG    1       -2.967   1.634   1.369  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -1.987   1.281   2.488  0.00  0.00    +0.084 C 
ATOM     18  N   LIG    1       -1.672  -0.140   2.545  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -2.497  -0.678   2.798  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -1.065  -0.644   1.309  0.00  0.00    +0.096 C 
ENDBRANCH   2   4
BRANCH   3  21
ATOM     21  C   LIG    1        1.131  -0.796  -1.234  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        0.363  -1.374  -2.400  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        1.836  -1.168  -2.518  0.00  0.00    +0.024 C 
ENDBRANCH   3  21
BRANCH   3  24
ATOM     24  C   LIG    1        2.183   1.411  -0.770  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.048   1.079   0.431  0.00  0.00    -0.020 A 
ATOM     26  C   LIG    1        4.257   0.334   0.355  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.931   0.067   1.574  0.00  0.00    +0.071 A 
ATOM     28  C   LIG    1        6.112  -0.661   1.551  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        6.665  -1.140   0.363  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.024  -0.884  -0.839  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1        4.486   0.484   2.768  0.00  0.00    -0.255 NA
ATOM     32  C   LIG    1        3.344   1.195   2.808  0.00  0.00    +0.112 A 
ATOM     33  C   LIG    1        4.834  -0.154  -0.844  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        2.604   1.514   1.689  0.00  0.00    +0.025 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 4