REMARK  Name = BDB012523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.067  -1.806   0.241  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        1.659  -0.516  -0.272  0.00  0.00    -0.344 N 
ATOM      3  C   LIG    1        0.384  -0.135  -0.541  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -0.966  -0.730  -0.425  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1       -1.788   0.390  -1.003  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.976   1.515  -1.349  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -1.291   2.593  -1.823  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.374   1.128  -1.047  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        1.691   1.589  -1.089  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.485   0.562  -0.580  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.169   0.310  -1.213  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -3.926   1.363  -1.582  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -5.299   1.282  -1.774  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -6.011   2.494  -2.156  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -6.016   0.099  -1.591  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -7.233   0.007  -1.734  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -5.186  -1.082  -1.205  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -5.969  -2.603  -0.998  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -3.861  -0.961  -1.040  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH  10  20
ATOM     20  C   LIG    1        3.890   0.481  -0.380  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        4.366   0.677   0.863  0.00  0.00    +0.098 A 
ATOM     22  N   LIG    1        5.722   0.616   1.150  0.00  0.00    -0.318 N 
ATOM     23  C   LIG    1        6.152   0.839   2.521  0.00  0.00    +0.152 C 
ATOM     24  C   LIG    1        6.679   0.359   0.170  0.00  0.00    +0.251 A 
ATOM     25  O   LIG    1        7.888   0.282   0.365  0.00  0.00    -0.268 OA
ATOM     26  C   LIG    1        6.155   0.170  -1.209  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1        4.840   0.233  -1.448  0.00  0.00    +0.017 A 
ENDBRANCH  10  20
BRANCH   4  28
ATOM     28  C   LIG    1       -1.318  -1.074   1.015  0.00  0.00    -0.021 A 
ATOM     29  C   LIG    1       -1.426  -2.420   1.405  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -1.735  -2.759   2.725  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -1.935  -1.755   3.669  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -2.311  -2.174   5.294  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -1.827  -0.416   3.306  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -1.518  -0.076   1.987  0.00  0.00    +0.007 A 
ENDBRANCH   4  28
TORSDOF 3