REMARK  Name = BDB021290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.562  -2.849   1.708  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.597  -2.035   1.320  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.043  -1.102   0.568  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.682  -1.304   0.438  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.148  -0.462  -0.329  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.377   0.566  -0.938  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.733   0.779  -0.815  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.598   0.028  -0.100  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        0.366  -2.419   1.181  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.034   0.390  -0.078  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.473   1.705   0.125  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.844   2.002   0.151  0.00  0.00    +0.073 A 
ATOM     13  C   LIG    1        6.733   0.957  -0.043  0.00  0.00    +0.123 A 
ATOM     14  N   LIG    1        6.354  -0.325  -0.232  0.00  0.00    -0.262 NA
ATOM     15  C   LIG    1        5.022  -0.581  -0.231  0.00  0.00    +0.119 A 
BRANCH  12  16
ATOM     16  C   LIG    1        6.355   3.396   0.341  0.00  0.00    +0.419 C 
ATOM     17  F   LIG    1        6.552   4.038  -0.842  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        7.545   3.447   0.999  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.502   4.183   1.054  0.00  0.00    -0.166 F 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  N   LIG    1        1.901  -4.908   3.247  0.00  0.00    -0.189 NA
ATOM     21  C   LIG    1        1.773  -3.981   2.560  0.00  0.00    +0.121 C 
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  N   LIG    1       -1.494  -0.750  -0.405  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -1.770  -1.712  -0.242  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.349  -0.078  -1.369  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.784  -0.394  -1.064  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.480   0.233  -0.035  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.057   1.319   0.882  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.209   1.259   1.885  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.354   0.641   1.254  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.809  -0.079   0.224  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.502  -1.018  -0.513  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.819  -1.674  -1.536  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.478  -1.364  -1.798  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -3.850  -2.024  -2.782  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 6