REMARK  Name = BDB001347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.419   0.633   0.631  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.690  -0.333   1.333  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1       -0.261  -1.198   1.821  0.00  0.00    -0.298 N 
ATOM      4  H   LIG    1        0.007  -2.030   2.339  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.084  -0.636   1.727  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        3.107  -0.654   0.772  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1        4.420  -0.937   1.169  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        4.712  -1.168   2.514  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.695  -1.132   3.468  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.381  -0.868   3.078  0.00  0.00    +0.017 A 
BRANCH   6  11
ATOM     11  O   LIG    1        2.797  -0.506  -0.562  0.00  0.00    -0.455 OA
BRANCH  11  12
ATOM     12  C   LIG    1        3.490   0.467  -1.246  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1        3.543   1.791  -0.805  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.237   2.742  -1.554  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.861   2.372  -2.747  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.785   1.053  -3.197  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.091   0.101  -2.450  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  CA  LIG    1       -1.675  -1.049   1.474  0.00  0.00    +0.186 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.487  -1.806   2.527  0.00  0.00    +0.326 C 
ATOM     20  O   LIG    1       -2.038  -2.734   3.192  0.00  0.00    -0.249 OA
BRANCH  19  21
ATOM     21  OXT LIG    1       -3.760  -1.369   2.675  0.00  0.00    -0.479 OA
ATOM     22  HXT LIG    1       -4.007  -0.654   2.052  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  18  19
BRANCH  18  23
ATOM     23  C   LIG    1       -1.973  -1.596   0.072  0.00  0.00    +0.071 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.300  -1.138  -0.456  0.00  0.00    -0.020 A 
ATOM     25  C   LIG    1       -3.617   0.170  -0.942  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -4.964   0.163  -1.309  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.612   1.293  -1.821  0.00  0.00    +0.064 A 
ATOM     28  C   LIG    1       -4.854   2.455  -1.957  0.00  0.00    +0.125 A 
ATOM     29  C   LIG    1       -3.511   2.501  -1.606  0.00  0.00    +0.039 A 
ATOM     30  F   LIG    1       -5.440   3.558  -2.443  0.00  0.00    -0.205 F 
ATOM     31  N   LIG    1       -5.442  -1.106  -1.077  0.00  0.00    -0.360 N 
ATOM     32  H   LIG    1       -6.388  -1.408  -1.269  0.00  0.00    +0.165 HD
ATOM     33  C   LIG    1       -2.877   1.363  -1.096  0.00  0.00    +0.013 A 
ATOM     34  C   LIG    1       -4.452  -1.893  -0.554  0.00  0.00    +0.087 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH   3  18
TORSDOF 8