REMARK  Name = BDB006660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.272  -0.163  -0.654  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.892  -0.335  -0.513  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.592   0.318  -0.746  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.358  -0.744  -0.272  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.350  -1.896   0.200  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1        0.099  -2.935   0.650  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.723  -1.580   0.018  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -2.951  -2.111   0.192  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1       -3.925  -1.259  -0.225  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.746  -0.596  -0.353  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        2.328   0.487  -0.912  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1        3.715   0.593  -0.964  0.00  0.00    -0.285 N 
ATOM     13  C   LIG    1        4.577  -0.369  -0.476  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        5.820   0.011  -0.678  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1        5.791   1.237  -1.300  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1        4.012  -1.534   0.128  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1        4.867  -2.635   0.701  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1        4.531   1.585  -1.465  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1        4.041   2.836  -2.084  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        2.659  -1.621   0.177  0.00  0.00    +0.032 A 
ENDBRANCH   4  10
BRANCH   3  21
ATOM     21  C   LIG    1       -0.603   1.592   0.078  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -0.439   1.589   1.475  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.454   2.784   2.200  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.634   3.994   1.538  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.654   5.465   2.429  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.801   4.022   0.155  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.785   2.828  -0.571  0.00  0.00    +0.007 A 
ENDBRANCH   3  21
BRANCH   8  28
ATOM     28  C   LIG    1       -3.327  -3.433   0.742  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -2.610  -4.119   1.877  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -2.562  -4.708   0.493  0.00  0.00    +0.029 C 
ENDBRANCH   8  28
BRANCH   1  32
ATOM     31  C   LIG    1       -4.582   1.894  -0.085  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -4.030   1.003  -1.188  0.00  0.00    +0.054 C 
ENDBRANCH   1  32
TORSDOF 4