REMARK  Name = BDB032525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.374   1.948   0.545  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1       -0.274   1.486   1.818  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        0.472   0.358   1.969  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1        1.132  -0.306   0.925  0.00  0.00    +0.140 A 
ATOM      5  N   LIG    1        1.006   0.171  -0.337  0.00  0.00    -0.237 NA
ATOM      6  C   LIG    1        0.248   1.284  -0.506  0.00  0.00    +0.137 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        1.876  -1.474   1.142  0.00  0.00    -0.305 N 
ATOM      8  C   LIG    1        2.908  -1.393   2.203  0.00  0.00    +0.182 C 
ATOM      9  C   LIG    1        4.277  -1.083   1.686  0.00  0.00    +0.151 A 
ATOM     10  N   LIG    1        5.367  -0.767   2.350  0.00  0.00    -0.132 NA
ATOM     11  N   LIG    1        6.379  -0.584   1.431  0.00  0.00    -0.125 NA
ATOM     12  C   LIG    1        5.887  -0.790   0.219  0.00  0.00    +0.238 A 
ATOM     13  N   LIG    1        4.567  -1.128   0.348  0.00  0.00    -0.305 N 
ATOM     14  C   LIG    1        3.596  -1.449  -0.682  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1        2.358  -2.143  -0.087  0.00  0.00    +0.128 C 
BRANCH  12  16
ATOM     16  C   LIG    1        6.580  -0.692  -1.087  0.00  0.00    +0.452 C 
ATOM     17  F   LIG    1        5.971   0.203  -1.910  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1        7.879  -0.314  -0.988  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        6.563  -1.882  -1.748  0.00  0.00    -0.163 F 
ENDBRANCH  12  16
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.219   3.175   0.288  0.00  0.00    +0.158 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.647   2.928   0.545  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1       -2.757   2.596   1.499  0.00  0.00    +0.146 HD
BRANCH  21  26
ATOM     23  C   LIG    1       -4.744  -1.362  -0.701  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -4.322  -0.051  -1.059  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.713   0.754  -0.059  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -3.284   2.078  -0.392  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1       -3.457   2.559  -1.702  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.051   1.773  -2.681  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -3.556   0.180   1.221  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -3.999  -1.112   1.459  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1       -4.478   0.481  -2.362  0.00  0.00    +0.012 A 
ATOM     32  N   LIG    1       -4.584  -1.885   0.529  0.00  0.00    -0.240 NA
BRANCH  23  33
ATOM     33  N   LIG    1       -5.361  -2.213  -1.631  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1       -4.725  -2.403  -2.402  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -6.209  -1.770  -1.985  0.00  0.00    +0.144 HD
ENDBRANCH  23  33
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6