REMARK  Name = BDB041304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.743   0.429   0.472  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1        0.419  -0.474   1.510  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.871  -0.447   2.069  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.146  -1.378   3.072  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -0.248  -2.271   3.545  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        0.995  -2.289   3.021  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -1.809   0.490   1.583  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -1.501   1.348   0.592  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        1.307  -1.421   2.032  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1       -0.260   1.299   0.060  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        4.567   0.473  -1.492  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        4.349   1.281  -0.368  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.107   1.294   0.292  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        2.930   2.184   1.495  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        2.061   0.472  -0.180  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        2.289  -0.338  -1.306  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        3.526  -0.339  -1.952  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     18  C   LIG    1        5.907   0.462  -2.191  0.00  0.00    +0.116 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.912  -0.804  -2.594  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.600  -0.805  -1.965  0.00  0.00    -0.315 NA
ATOM     21  H   LIG    1        6.702  -0.949  -0.961  0.00  0.00    +0.122 HD
ENDBRANCH  18  20
ENDBRANCH  11  18
ENDBRANCH   1  15
BRANCH   7  22
ATOM     22  N   LIG    1       -3.098   0.541   2.156  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1       -2.988   0.800   3.133  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.056   1.436   1.502  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.595   0.879   0.212  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.108  -0.410   0.080  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.285  -1.485   1.086  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.610  -2.651   0.152  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.130  -2.128  -1.090  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.642  -0.848  -1.129  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.698  -0.044  -2.249  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.192   1.250  -2.142  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.656   1.698  -0.926  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.219   2.965  -0.860  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6