REMARK  Name = BDB012552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.483   2.692   1.873  0.00  0.00    +0.148 C 
ATOM      2  N   LIG    1        1.792   2.970   0.638  0.00  0.00    -0.351 N 
ATOM      3  C   LIG    1        0.809   2.234   0.067  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        0.078   0.988   0.375  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1       -0.851   0.935  -0.811  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.633   2.038  -1.696  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -1.194   2.333  -2.737  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.415   2.819  -1.097  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        1.175   3.977  -1.282  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        2.029   4.051  -0.189  0.00  0.00    +0.086 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.843  -0.040  -0.955  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.158  -0.907   0.029  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -3.141  -1.878  -0.098  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -3.402  -2.754   1.035  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -3.900  -2.030  -1.262  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -4.788  -2.869  -1.388  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -3.549  -1.088  -2.368  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -4.400  -1.229  -3.859  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -2.585  -0.171  -2.201  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1        1.004  -0.213   0.492  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        1.232  -0.797   1.750  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        2.089  -1.893   1.884  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        2.737  -2.419   0.762  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        2.525  -1.843  -0.492  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        1.668  -0.747  -0.625  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  C   LIG    1        3.618  -3.542   0.902  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1        4.332  -4.448   1.025  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH   4  20
TORSDOF 3