REMARK  Name = BDB042467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.883  -2.491  -0.101  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.241  -1.569  -0.283  0.00  0.00    -0.299 NA
ATOM      3  C   LIG    1       -0.361  -1.123  -1.684  0.00  0.00    +0.103 C 
ATOM      4  C   LIG    1       -1.507  -0.098  -1.867  0.00  0.00    +0.120 C 
ATOM      5  N   LIG    1       -2.793  -0.578  -1.307  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -2.743  -1.926  -0.720  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -1.528  -2.101   0.224  0.00  0.00    +0.103 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -3.664   0.402  -0.836  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -4.335   0.306   0.391  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1       -5.213   1.318   0.818  0.00  0.00    +0.128 A 
ATOM     11  C   LIG    1       -5.446   2.448   0.030  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -4.795   2.558  -1.193  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.921   1.548  -1.613  0.00  0.00    +0.023 A 
BRANCH  10  14
ATOM     14  N   LIG    1       -5.889   1.188   2.114  0.00  0.00    +0.056 N 
ATOM     15  O   LIG    1       -5.676   0.163   2.778  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1       -6.635   2.111   2.471  0.00  0.00    -0.126 OA
ENDBRANCH  10  14
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.250  -2.728   1.373  0.00  0.00    +0.021 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.550  -1.453   2.174  0.00  0.00    +0.054 C 
BRANCH  18  28
ATOM     19  O   LIG    1        6.195  -1.006   1.366  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        5.085  -0.501   1.246  0.00  0.00    +0.257 A 
ATOM     21  C   LIG    1        4.892   0.814   0.589  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        3.591   1.334   0.485  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1        3.396   2.575  -0.132  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        4.492   3.280  -0.637  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.773   2.745  -0.524  0.00  0.00    +0.124 A 
ATOM     26  F   LIG    1        6.814   3.430  -1.013  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        2.462   0.572   1.022  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        2.671  -0.620   1.604  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.988   1.516   0.085  0.00  0.00    +0.052 A 
ATOM     30  N   LIG    1        3.947  -1.124   1.712  0.00  0.00    -0.326 N 
ATOM     31  H   LIG    1        4.103  -2.017   2.165  0.00  0.00    +0.169 HD
ENDBRANCH  18  28
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6