REMARK  Name = BDB012542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.624   2.095   2.384  0.00  0.00    +0.148 C 
ATOM      2  N   LIG    1       -2.135   2.542   1.102  0.00  0.00    -0.351 N 
ATOM      3  C   LIG    1       -1.148   1.983   0.363  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -0.232   0.831   0.484  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1        0.531   0.974  -0.807  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.065   2.090  -1.571  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        0.445   2.522  -2.646  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.985   2.686  -0.791  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -1.903   3.740  -0.793  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -2.611   3.632   0.397  0.00  0.00    +0.086 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.609   0.149  -1.147  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.152  -0.731  -0.280  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.222  -1.553  -0.602  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1        3.728  -2.462   0.417  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        3.837  -1.530  -1.856  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1        4.798  -2.236  -2.155  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        3.235  -0.572  -2.833  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1        3.898  -0.503  -4.421  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        2.196   0.198  -2.478  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.975  -0.488   0.626  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.709  -1.043  -0.438  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.394  -2.250  -0.279  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.359  -2.910   0.946  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -3.204  -4.395   1.144  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.646  -2.373   2.015  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.960  -1.166   1.858  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
TORSDOF 2