REMARK  Name = BDB054659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.053   0.085   0.204  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.251   0.852   0.095  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.325   0.054  -0.011  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -1.857  -1.211   0.032  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.487  -1.230   0.155  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.433   2.306   0.068  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.491   2.889   0.784  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -2.693   4.272   0.760  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.839   5.080   0.014  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -2.085   6.783  -0.018  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -0.791   4.518  -0.711  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.592   3.133  -0.688  0.00  0.00    +0.011 A 
ENDBRANCH   2   6
BRANCH   4  13
ATOM     13  C   LIG    1       -2.746  -2.320  -0.048  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -2.276  -3.640   0.008  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.175  -4.708  -0.074  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.542  -4.468  -0.211  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.016  -3.160  -0.267  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.124  -2.088  -0.185  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   1  20
ATOM     19  O   LIG    1        1.558   1.632   0.907  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        1.320   0.549   0.389  0.00  0.00    +0.252 C 
ATOM     21  N   LIG    1        2.272  -0.336  -0.092  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        1.925  -1.147  -0.583  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.675  -0.204  -0.042  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.431  -1.206  -0.667  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        5.829  -1.155  -0.661  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        6.479  -0.101  -0.028  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        8.197  -0.035  -0.019  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        5.742   0.899   0.599  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        4.342   0.847   0.593  0.00  0.00    +0.025 A 
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 4