REMARK  Name = BDB014102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.076  -0.617  -0.060  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.637   0.433   0.760  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -2.016  -0.047   0.616  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -2.134  -1.159  -0.155  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -3.489  -1.446  -0.177  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1       -4.193  -0.547   0.537  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -3.253   0.307   1.020  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -3.651   1.429   1.831  0.00  0.00    +0.172 C 
ATOM      9  C   LIG    1       -0.844  -1.567  -0.614  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.640  -2.546  -1.311  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        4.043  -2.634  -2.297  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.464  -1.671  -1.292  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.288  -0.824  -0.487  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        3.667   0.039   0.396  0.00  0.00    -0.280 N 
ATOM     15  C   LIG    1        4.694   0.715   1.014  0.00  0.00    +0.204 A 
ATOM     16  N   LIG    1        5.849   0.290   0.538  0.00  0.00    -0.128 NA
ATOM     17  C   LIG    1        2.286   0.121   0.553  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        1.467  -0.664  -0.179  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        5.592  -0.675  -0.405  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1        2.121  -1.577  -1.129  0.00  0.00    +0.032 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.479   1.746   2.045  0.00  0.00    +0.408 C 
ATOM     22  F   LIG    1        3.791   1.238   3.107  0.00  0.00    -0.201 F 
ATOM     23  F   LIG    1        3.710   2.765   1.569  0.00  0.00    -0.201 F 
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   2  24
ATOM     24  C   LIG    1       -0.457   1.851   0.244  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -0.182   2.892   1.148  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -0.019   4.204   0.696  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.136   4.490  -0.661  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        0.063   6.106  -1.214  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -0.417   3.475  -1.572  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -0.579   2.162  -1.122  0.00  0.00    +0.007 A 
ENDBRANCH   2  24
BRANCH   5  31
ATOM     31  C   LIG    1       -4.137  -2.628  -0.935  0.00  0.00    +0.040 C 
ATOM     32  C   LIG    1       -3.805  -4.039  -0.521  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -5.167  -3.478  -0.234  0.00  0.00    +0.010 C 
ENDBRANCH   5  31
TORSDOF 4