REMARK  Name = BDB031062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.115   0.219   0.266  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.874   0.291  -0.260  0.00  0.00    +0.097 A 
ATOM      3  N   LIG    1       -2.106   1.448  -0.105  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -2.552   2.561   0.605  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -1.635   3.499   0.671  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.562   2.995  -0.016  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -3.870   2.509   1.136  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -0.832   1.750  -0.553  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -4.618   1.402   0.973  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        0.012   0.895  -1.364  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.224   0.645  -0.820  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1        2.083  -0.137  -1.502  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        1.754  -0.658  -2.751  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        0.507  -0.386  -3.305  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.386   0.408  -2.600  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1        3.359  -0.403  -0.989  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        3.562  -1.395  -1.047  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.623   0.124   0.348  0.00  0.00    +0.093 C 
ATOM     19  C   LIG    1        5.073  -0.120   0.732  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1        6.085   0.993   0.518  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1        6.191  -0.265  -0.288  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1        5.113  -0.914   2.011  0.00  0.00    +0.089 C 
ATOM     23  N   LIG    1        3.789  -0.691   2.609  0.00  0.00    -0.314 NA
ATOM     24  H   LIG    1        3.797   0.234   3.041  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        2.867  -0.640   1.456  0.00  0.00    +0.103 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  26
ATOM     26  C   LIG    1       -5.021  -0.958   0.159  0.00  0.00    +0.092 C 
ATOM     27  C   LIG    1       -5.497  -1.589   1.466  0.00  0.00    +0.021 C 
ATOM     28  C   LIG    1       -4.461  -2.294   0.645  0.00  0.00    +0.021 C 
BRANCH  26  30
ATOM     29  F   LIG    1       -6.799   0.098  -0.995  0.00  0.00    -0.170 F 
ATOM     30  C   LIG    1       -5.956  -0.961  -1.034  0.00  0.00    +0.399 C 
ATOM     31  F   LIG    1       -5.260  -0.902  -2.194  0.00  0.00    -0.170 F 
ATOM     32  F   LIG    1       -6.715  -2.084  -1.072  0.00  0.00    -0.170 F 
ENDBRANCH  26  30
ENDBRANCH   1  26
TORSDOF 5