REMARK  Name = BDB012522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.879   1.653  -0.894  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        1.479   0.288  -0.630  0.00  0.00    -0.344 N 
ATOM      3  C   LIG    1        0.200  -0.157  -0.532  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.154   0.438  -0.582  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1       -1.985  -0.806  -0.424  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -1.167  -1.966  -0.248  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -1.485  -3.131  -0.078  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.190  -1.502  -0.333  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        1.513  -1.943  -0.284  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.314  -0.813  -0.451  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.383  -0.820  -0.491  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.129  -1.902  -0.193  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -5.517  -1.905  -0.245  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -6.214  -3.132   0.115  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -6.260  -0.779  -0.601  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -7.488  -0.750  -0.632  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -5.443   0.421  -0.957  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -6.263   1.853  -1.456  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -4.104   0.377  -0.903  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH  10  20
ATOM     20  C   LIG    1        3.731  -0.660  -0.460  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.404  -1.212  -1.484  0.00  0.00    +0.080 A 
ATOM     22  C   LIG    1        5.884  -1.097  -1.579  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        6.459  -1.603  -2.539  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        6.511  -0.401  -0.549  0.00  0.00    -0.318 N 
ATOM     25  C   LIG    1        7.958  -0.260  -0.563  0.00  0.00    +0.152 C 
ATOM     26  C   LIG    1        5.804   0.135   0.511  0.00  0.00    +0.089 A 
ATOM     27  C   LIG    1        4.473   0.026   0.580  0.00  0.00    +0.028 A 
ENDBRANCH  10  20
BRANCH   4  28
ATOM     28  C   LIG    1       -1.369   1.468   0.517  0.00  0.00    -0.021 A 
ATOM     29  C   LIG    1       -1.491   2.828   0.184  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -1.675   3.792   1.179  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -1.733   3.406   2.516  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -1.955   4.595   3.740  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -1.607   2.065   2.868  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -1.424   1.101   1.874  0.00  0.00    +0.007 A 
ENDBRANCH   4  28
TORSDOF 3