REMARK  Name = BDB021354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.826  -1.108  -0.131  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.108  -1.334  -1.343  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.107  -1.983  -1.237  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.586  -2.157  -2.514  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.660  -1.552  -3.331  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.652  -2.380  -0.003  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.968  -2.209   1.094  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.381  -1.036  -2.600  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.256  -1.581   0.999  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.669   0.845   0.062  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.418  -0.179  -0.854  0.00  0.00    +0.128 A 
ATOM     12  F   LIG    1        5.384  -0.576  -1.695  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.178  -0.811  -0.921  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        2.147  -0.441  -0.050  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1        2.390   0.586   0.876  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.639   1.215   0.937  0.00  0.00    +0.008 A 
BRANCH  10  17
ATOM     17  C   LIG    1        6.029   1.494   0.133  0.00  0.00    +0.119 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.251   3.565   0.217  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        5.930   2.957   0.144  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1        5.473   3.253  -0.719  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1       -0.705  -1.446  -4.757  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -0.783  -1.372  -5.914  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -2.896  -2.968   0.060  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.007  -3.357   0.998  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.101  -2.203  -0.253  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.397  -1.177   0.803  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -4.053   0.166   0.680  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.327   0.885  -0.396  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -3.615   2.326   0.026  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -3.913   2.348   1.440  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -4.323   1.067   1.705  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -4.928   0.687   2.886  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -5.284  -0.653   3.030  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.018  -1.563   2.000  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.359  -2.848   2.177  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7