REMARK  Name = BDB012425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.230  -0.742  -0.189  0.00  0.00    -0.228 N 
ATOM      2  C   LIG    1       -0.892  -0.918   0.018  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1        0.355  -0.136  -0.084  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1        1.367  -1.260   0.004  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.734  -2.525   0.183  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        1.211  -3.640   0.298  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -0.667  -2.254   0.138  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -1.910  -2.868   0.091  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1       -2.235  -4.310   0.165  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1       -2.872  -1.950  -0.112  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        2.744  -1.061  -0.142  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        3.268   0.088  -0.615  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.631   0.295  -0.767  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1        5.084   1.573  -1.298  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        5.580  -0.682  -0.453  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1        6.790  -0.527  -0.599  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        5.013  -1.955   0.089  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1        6.107  -3.204   0.551  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        3.688  -2.107   0.226  0.00  0.00    +0.050 A 
ENDBRANCH   4  11
BRANCH   3  20
ATOM     20  C   LIG    1        0.550   0.889   1.021  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        0.620   0.513   2.375  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.805   1.473   3.373  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.923   2.817   3.030  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        1.146   3.999   4.258  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.858   3.211   1.695  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.672   2.253   0.696  0.00  0.00    +0.007 A 
ENDBRANCH   3  20
BRANCH   1  28
ATOM     27  C   LIG    1       -3.975   0.507  -1.349  0.00  0.00    +0.241 A 
ATOM     28  C   LIG    1       -2.959   0.444  -0.398  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1       -2.716   1.574   0.387  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -3.471   2.725   0.184  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -4.446   2.705  -0.797  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1       -4.706   1.629  -1.569  0.00  0.00    -0.220 NA
BRANCH  27  34
ATOM     33  C   LIG    1       -5.388  -0.505  -2.917  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1       -4.153  -0.552  -2.212  0.00  0.00    -0.478 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4