REMARK  Name = BDB042604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.530  -1.408  -3.337  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.120  -0.957  -2.268  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.219  -1.022  -1.907  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -0.778  -0.463  -0.672  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.303  -0.285  -0.730  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1       -3.000  -1.522  -1.093  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1       -4.240  -1.946  -0.646  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -4.686  -3.048  -0.988  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.288  -2.409  -2.026  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -1.160  -1.712  -2.796  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.091  -1.085   0.291  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1       -4.522  -1.004   1.716  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -4.777   0.347   2.386  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -6.188   0.848   2.099  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -6.468   1.015   0.603  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -5.478   0.274  -0.297  0.00  0.00    +0.013 C 
ENDBRANCH   7  11
BRANCH   2  17
ATOM     17  C   LIG    1        2.061  -0.293  -1.275  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.522  -0.416  -1.719  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.564   0.194  -0.804  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1        5.867   0.055  -1.237  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        6.058  -0.426  -2.110  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        6.984   0.524  -0.581  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1        8.114   0.364  -1.027  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        6.744   1.233   0.696  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        5.423   1.381   1.147  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1        5.184   2.050   2.353  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        6.255   2.561   3.091  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        7.557   2.402   2.624  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        8.575   2.897   3.340  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.817   1.743   1.431  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1        4.317   0.835   0.352  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 4