REMARK  Name = BDB003295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.307  -2.064  -0.257  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.469  -0.892  -0.504  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.746  -0.691   0.056  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.456   0.491  -0.219  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.904   1.500  -1.026  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -0.628   1.321  -1.592  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.378  -1.714   0.963  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.343  -2.691   1.496  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.071   0.125  -1.318  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.468  -3.170   0.341  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.046  -0.833   1.756  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        1.841  -0.916   1.138  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        1.604  -1.970   0.324  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1        2.599  -2.952   0.061  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        3.824  -2.843   0.752  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        4.793  -3.823   0.526  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        4.647  -4.864  -0.323  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        3.486  -4.928  -1.004  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        2.457  -4.014  -0.856  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        4.048  -1.769   1.618  0.00  0.00    +0.043 A 
BRANCH  11  24
ATOM     21  C   LIG    1        2.092   2.408   3.449  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.151   1.210   2.659  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        1.363   0.946   2.071  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.232   0.358   2.644  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        4.260   0.526   3.286  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -2.674   2.710  -1.219  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.803   2.799  -2.004  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -4.225   4.091  -1.902  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -5.355   4.680  -2.570  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -3.466   4.842  -1.079  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -2.510   4.002  -0.678  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        0.023   2.366  -2.468  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -0.764   2.778  -3.513  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        0.369   3.487  -1.775  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4