REMARK  Name = BDB064995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.559   0.118   2.432  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.649   0.912   1.502  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -1.831   1.518   1.129  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -1.883   1.972   0.229  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.547   1.234   0.676  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.569   0.276   0.586  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        2.723   0.513  -0.178  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        2.829   1.746  -0.844  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        1.824   2.712  -0.745  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.685   2.460   0.017  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        3.788  -0.498  -0.279  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1        5.126  -0.172  -0.022  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        6.094  -1.159  -0.131  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.830  -2.434  -0.478  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.539  -2.738  -0.720  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.502  -1.822  -0.634  0.00  0.00    +0.028 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -3.081   1.179   1.770  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.831   0.149   0.966  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1       -4.830   0.530   0.059  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1       -5.495  -0.436  -0.694  0.00  0.00    +0.126 A 
ATOM     21  F   LIG    1       -6.448  -0.054  -1.554  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -5.184  -1.783  -0.573  0.00  0.00    +0.076 A 
ATOM     23  C   LIG    1       -4.189  -2.159   0.318  0.00  0.00    +0.126 A 
ATOM     24  F   LIG    1       -3.873  -3.454   0.441  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -3.511  -1.212   1.083  0.00  0.00    +0.043 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4