REMARK  Name = BDB031124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.646  -1.611  -0.101  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1        1.458  -1.377   0.483  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        0.340  -1.691  -0.210  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.361  -2.264  -1.474  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.596  -2.511  -2.060  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.755  -2.181  -1.363  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.893  -1.413   0.502  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -1.959  -0.667   0.031  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1       -2.933  -0.689   1.026  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -4.163  -0.015   0.773  0.00  0.00    +0.058 A 
ATOM     11  C   LIG    1       -4.355   0.671  -0.380  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.285   0.678  -1.389  0.00  0.00    +0.030 A 
ATOM     13  N   LIG    1       -2.530  -1.347   2.091  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1       -2.133   0.025  -1.167  0.00  0.00    +0.094 A 
ATOM     15  C   LIG    1       -1.264  -1.772   1.785  0.00  0.00    +0.141 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -5.597   1.340  -0.623  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1       -6.322   1.890   0.413  0.00  0.00    -0.344 N 
ATOM     18  H   LIG    1       -6.063   1.877   1.389  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1       -7.435   2.486  -0.113  0.00  0.00    +0.104 A 
ATOM     20  C   LIG    1       -7.334   2.295  -1.468  0.00  0.00    +0.130 A 
ATOM     21  N   LIG    1       -6.191   1.603  -1.773  0.00  0.00    -0.236 NA
ENDBRANCH  11  16
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  N   LIG    1        3.762  -1.266   0.662  0.00  0.00    -0.322 N 
ATOM     23  H   LIG    1        3.356  -0.918   1.534  0.00  0.00    +0.148 HD
BRANCH  22  26
ATOM     24  F   LIG    1        6.984   0.021  -0.023  0.00  0.00    -0.242 F 
ATOM     25  C   LIG    1        5.937  -0.109   0.848  0.00  0.00    +0.201 C 
ATOM     26  C   LIG    1        4.645  -0.263   0.040  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        4.029   1.155   0.058  0.00  0.00    +0.106 C 
ATOM     28  N   LIG    1        5.017   2.067   0.662  0.00  0.00    -0.311 NA
ATOM     29  H   LIG    1        5.666   2.364  -0.072  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        5.768   1.205   1.592  0.00  0.00    +0.119 C 
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 4