REMARK  Name = BDB031027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  F   LIG    1        4.333  -2.881  -1.905  0.00  0.00    -0.202 F 
ATOM      2  C   LIG    1        3.414  -2.111  -1.307  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1        3.716  -0.924  -0.672  0.00  0.00    +0.111 A 
ATOM      4  N   LIG    1        2.741  -0.165  -0.104  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1        1.467  -0.596  -0.158  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1        1.111  -1.743  -0.758  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1        2.092  -2.475  -1.322  0.00  0.00    +0.155 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        5.086  -0.374  -0.559  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        5.286   1.023  -0.540  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        6.588   1.544  -0.431  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        7.707   0.717  -0.334  0.00  0.00    +0.078 A 
ATOM     12  N   LIG    1        8.925   1.369  -0.233  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1        8.726   2.667  -0.251  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        7.513  -0.676  -0.344  0.00  0.00    +0.029 A 
ATOM     15  S   LIG    1        7.102   3.189  -0.390  0.00  0.00    -0.075 S 
ATOM     16  C   LIG    1        6.216  -1.201  -0.453  0.00  0.00    +0.012 A 
ENDBRANCH   3   8
BRANCH   5  17
ATOM     17  N   LIG    1        0.538   0.227   0.447  0.00  0.00    -0.268 N 
ATOM     18  H   LIG    1        0.957   1.045   0.861  0.00  0.00    +0.156 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.831   0.188   0.628  0.00  0.00    +0.125 A 
ATOM     20  N   LIG    1       -1.343   1.234   1.305  0.00  0.00    -0.238 NA
ATOM     21  C   LIG    1       -2.686   1.261   1.517  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1       -3.612   0.310   1.079  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -3.039  -0.764   0.402  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -1.657  -0.826   0.171  0.00  0.00    +0.045 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -4.976   0.430   1.351  0.00  0.00    -0.326 N 
ATOM     26  C   LIG    1       -5.890  -0.707   1.119  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.487  -0.677  -0.308  0.00  0.00    +0.100 C 
ATOM     28  N   LIG    1       -7.146   0.604  -0.645  0.00  0.00    -0.313 NA
ATOM     29  H   LIG    1       -7.930   0.733  -0.005  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -6.186   1.707  -0.419  0.00  0.00    +0.100 C 
ATOM     31  C   LIG    1       -5.602   1.732   1.015  0.00  0.00    +0.120 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 4