REMARK  Name = BDB041307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.494   0.189   0.147  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -1.961  -0.799   0.981  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.594  -1.086   0.870  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -0.132  -2.103   1.704  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1       -0.891  -2.768   2.596  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -2.172  -2.399   2.634  0.00  0.00    +0.221 A 
ATOM      7  C   LIG    1        0.209  -0.372  -0.047  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -0.315   0.571  -0.849  0.00  0.00    -0.239 NA
ATOM      9  N   LIG    1       -2.741  -1.457   1.867  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -1.634   0.832  -0.736  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -6.920   2.681   0.442  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.856   1.661   0.294  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -6.173   0.387   0.052  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -4.984  -0.249  -0.009  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -4.987  -1.662  -0.313  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -3.905   0.586   0.178  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -4.458   1.840   0.369  0.00  0.00    +0.052 A 
ENDBRANCH   1  16
BRANCH   7  18
ATOM     18  N   LIG    1        1.583  -0.655  -0.141  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        2.019  -0.537   0.768  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.296   0.089  -1.176  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.759  -0.250  -1.105  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.626   0.364  -0.205  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.362   1.387   0.836  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.802   1.770   1.179  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.678   0.680   0.814  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.964  -0.005  -0.134  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.501  -0.990  -0.939  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.654  -1.612  -1.855  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.304  -1.243  -1.931  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.524  -1.871  -2.823  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
TORSDOF 4