REMARK  Name = BDB055110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.533   2.228  -1.702  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.689   1.456  -1.569  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -2.823   1.618  -2.348  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -3.798   0.725  -2.003  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -3.284   0.014  -1.020  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -2.922   2.551  -3.319  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -1.812   3.315  -3.455  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -2.010   0.423  -0.728  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1       -1.400   0.043  -0.020  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -0.636   3.207  -2.707  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        0.640   4.321  -3.051  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.020  -1.134  -0.289  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1       -5.326  -1.625  -0.521  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -6.315  -1.160  -1.524  0.00  0.00    +0.068 C 
ATOM     15  N   LIG    1       -5.623  -2.633   0.314  0.00  0.00    -0.176 NA
ATOM     16  N   LIG    1       -4.516  -2.772   1.064  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -4.482  -3.785   2.091  0.00  0.00    +0.172 C 
ATOM     18  C   LIG    1       -3.520  -1.896   0.741  0.00  0.00    +0.119 A 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     19  N   LIG    1        2.697   1.510   0.893  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1        2.724   0.873  -0.444  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        1.780   1.504  -1.505  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        0.540   1.962  -0.867  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1        0.733   2.929   0.235  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        2.172   2.881   0.813  0.00  0.00    +0.103 C 
BRANCH  19  25
ATOM     25  C   LIG    1        3.988   1.454   1.593  0.00  0.00    +0.143 C 
BRANCH  25  30
ATOM     26  C   LIG    1        5.863  -3.296   1.954  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1        5.208  -1.980   2.053  0.00  0.00    +0.135 A 
ATOM     28  O   LIG    1        4.409  -1.785   3.135  0.00  0.00    -0.360 OA
ATOM     29  N   LIG    1        3.874  -0.511   3.090  0.00  0.00    -0.082 NA
ATOM     30  C   LIG    1        4.350   0.048   1.967  0.00  0.00    +0.098 A 
ATOM     31  C   LIG    1        5.212  -0.845   1.283  0.00  0.00    +0.072 A 
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 4