REMARK  Name = BDB063607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.354   2.123  -0.203  0.00  0.00    -0.220 N 
ATOM      2  C   LIG    1        2.317   1.430   0.482  0.00  0.00    +0.316 C 
ATOM      3  O   LIG    1        2.219   1.101   1.656  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        3.391   1.196  -0.393  0.00  0.00    -0.246 N 
ATOM      5  C   LIG    1        3.108   1.758  -1.696  0.00  0.00    +0.211 C 
ATOM      6  C   LIG    1        1.740   2.362  -1.485  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        1.109   2.966  -2.341  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        4.601   0.507  -0.108  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        5.583   0.358  -1.098  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        6.776  -0.317  -0.829  0.00  0.00    +0.137 A 
ATOM     11  F   LIG    1        7.681  -0.430  -1.811  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        7.038  -0.865   0.419  0.00  0.00    +0.090 A 
ATOM     13  C   LIG    1        6.067  -0.724   1.415  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        4.867  -0.046   1.151  0.00  0.00    +0.024 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.333  -1.579   0.656  0.00  0.00    +0.420 C 
ATOM     16  F   LIG    1        8.451  -2.064   1.925  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        8.504  -2.653  -0.162  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        9.420  -0.780   0.469  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   4   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.078   2.509   0.353  0.00  0.00    +0.153 C 
BRANCH  19  26
ATOM     20  C   LIG    1       -3.475   0.479  -2.556  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -2.697   0.436  -1.273  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -2.908  -0.548  -0.293  0.00  0.00    +0.128 A 
ATOM     23  C   LIG    1       -2.079  -0.613   0.840  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -2.177  -1.719   1.849  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -1.133   0.403   1.051  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -0.968   1.443   0.128  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1       -1.742   1.439  -1.038  0.00  0.00    +0.012 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -3.862  -1.510  -0.501  0.00  0.00    -0.475 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.144  -1.251   0.099  0.00  0.00    +0.200 C 
ATOM     30  C   LIG    1       -5.494  -2.503   0.928  0.00  0.00    +0.067 C 
ATOM     31  C   LIG    1       -6.177  -1.193  -1.042  0.00  0.00    +0.067 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -5.333  -0.013   1.018  0.00  0.00    +0.348 C 
ATOM     33  O   LIG    1       -5.294   0.004   2.240  0.00  0.00    -0.247 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -5.541   1.142   0.349  0.00  0.00    -0.478 OA
ATOM     35  H   LIG    1       -5.563   1.820   1.056  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 8