REMARK  Name = BDB049086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.216   0.557  -0.608  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.490   0.316  -1.791  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.822  -0.120  -1.764  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.498  -0.335  -0.557  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.783  -0.080   0.624  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.453   0.358   0.604  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.834  -0.770  -0.481  0.00  0.00    -0.330 N 
ATOM      8  C   LIG    1        3.973  -2.058   0.228  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        5.402  -2.589   0.124  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        6.406  -1.447   0.004  0.00  0.00    +0.133 C 
ATOM     11  O   LIG    1        7.743  -1.992  -0.044  0.00  0.00    -0.442 OA
ATOM     12  C   LIG    1        8.560  -1.217   0.728  0.00  0.00    +0.401 C 
ATOM     13  O   LIG    1        9.762  -1.373   0.845  0.00  0.00    -0.226 OA
ATOM     14  N   LIG    1        7.823  -0.267   1.376  0.00  0.00    -0.277 N 
ATOM     15  H   LIG    1        8.250   0.234   2.143  0.00  0.00    +0.152 HD
ATOM     16  C   LIG    1        6.434  -0.552   1.242  0.00  0.00    +0.155 C 
ATOM     17  C   LIG    1        6.152  -0.652  -1.287  0.00  0.00    +0.068 C 
ATOM     18  C   LIG    1        4.672  -0.618  -1.676  0.00  0.00    +0.109 C 
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  N   LIG    1       -3.862   0.941   0.088  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -3.454   2.338   0.298  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -1.942   2.411  -0.049  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1       -1.655   1.026  -0.678  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -2.639   0.135   0.093  0.00  0.00    +0.094 C 
BRANCH  21  24
ATOM     24  N   LIG    1       -1.451   3.598  -0.782  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -1.685   4.829  -0.028  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -1.980   3.725  -2.138  0.00  0.00    +0.104 C 
ENDBRANCH  21  24
BRANCH  19  27
ATOM     27  C   LIG    1       -4.895   0.499   1.024  0.00  0.00    +0.122 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -4.389  -2.125   2.488  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -5.295  -2.032   1.292  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -5.539  -0.811   0.624  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -6.421  -0.812  -0.469  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1       -6.699   0.335  -1.107  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -7.042  -1.975  -0.912  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -6.792  -3.177  -0.261  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -5.928  -3.204   0.835  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 5