REMARK  Name = BDB042548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.436   0.412  -0.591  0.00  0.00    -0.038 C 
ATOM      2  C   LIG    1       -2.618   1.633  -0.912  0.00  0.00    +0.054 C 
ATOM      3  C   LIG    1       -1.119   1.341  -0.819  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1       -0.785   0.586   0.388  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        0.411   0.890   1.037  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.102   1.857   0.714  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.495  -0.676   0.588  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1       -2.900  -0.632   0.064  0.00  0.00    -0.004 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -5.921   0.448  -0.144  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -4.838   0.383  -1.037  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -5.114   0.278  -2.409  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -6.435   0.242  -2.865  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -7.483   0.311  -1.952  0.00  0.00    +0.126 A 
ATOM     14  F   LIG    1       -8.746   0.276  -2.397  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -7.243   0.414  -0.590  0.00  0.00    +0.080 A 
BRANCH   9  17
ATOM     16  C   LIG    1       -5.551   0.659   2.384  0.00  0.00    +0.135 C 
ATOM     17  N   LIG    1       -5.706   0.564   1.226  0.00  0.00    -0.350 NA
ENDBRANCH   9  17
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  C   LIG    1        0.801  -0.005   2.208  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.194   0.308   2.764  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.303  -0.245   1.900  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        3.555  -1.596   1.990  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        3.015  -2.174   2.623  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        4.528  -2.267   1.282  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1        4.697  -3.475   1.404  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        5.355  -1.450   0.362  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.105  -0.071   0.274  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1        5.877   0.711  -0.592  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        6.885   0.116  -1.355  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        7.117  -1.253  -1.251  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        8.085  -1.812  -1.988  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        6.362  -2.047  -0.399  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1        4.042   0.525   1.085  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5