REMARK  Name = BDB021300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.490   0.469   0.327  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        0.498  -0.240   1.051  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1        4.168  -1.695   0.264  0.00  0.00    +0.159 A 
ATOM      4  N   LIG    1        4.909  -0.716  -0.347  0.00  0.00    -0.216 NA
ATOM      5  C   LIG    1        4.067   0.279  -0.562  0.00  0.00    +0.157 A 
ATOM      6  N   LIG    1        2.802  -0.026  -0.091  0.00  0.00    -0.270 N 
ATOM      7  C   LIG    1        1.708   0.864  -0.185  0.00  0.00    +0.202 A 
ATOM      8  N   LIG    1        1.875   2.027  -0.755  0.00  0.00    -0.223 NA
ATOM      9  C   LIG    1        3.130   2.343  -1.233  0.00  0.00    +0.133 A 
ATOM     10  C   LIG    1        4.214   1.552  -1.167  0.00  0.00    +0.079 A 
ATOM     11 BR   LIG    1        5.876   2.054  -1.835  0.00  0.00    -0.045 Br
ATOM     12  C   LIG    1        2.861  -1.299   0.430  0.00  0.00    +0.135 A 
BRANCH   3  14
ATOM     13  N   LIG    1        5.174  -3.978   0.971  0.00  0.00    -0.189 NA
ATOM     14  C   LIG    1        4.746  -2.949   0.645  0.00  0.00    +0.121 C 
ENDBRANCH   3  14
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1       -0.601   1.416   0.479  0.00  0.00    +0.143 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.861   0.672   0.815  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -2.550  -0.086  -0.128  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -2.228  -0.367  -1.548  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -3.555  -0.988  -1.984  0.00  0.00    +0.234 C 
ATOM     20  O   LIG    1       -4.240  -1.503  -0.819  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -3.695  -0.792   0.218  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -4.205  -0.785   1.501  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -3.536  -0.027   2.461  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1       -2.381   0.687   2.115  0.00  0.00    +0.129 A 
ATOM     25  F   LIG    1       -1.753   1.386   3.071  0.00  0.00    -0.205 F 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4