REMARK  Name = BDB053449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007  -1.472   2.143  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1        0.385  -0.751   0.956  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -0.402  -0.278  -0.044  0.00  0.00    +0.190 C 
ATOM      4  N   LIG    1        0.242   0.230  -1.055  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1        1.576   0.111  -0.723  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        2.567   0.541  -1.514  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.693  -0.541   0.616  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1        2.694  -0.819   1.246  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.002   0.450  -1.241  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.656  -0.790  -1.229  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        6.014  -0.800  -0.990  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.804  -1.907  -0.942  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        8.084  -1.314  -0.645  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        8.046   0.126  -0.560  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        6.723   0.358  -0.774  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        6.114   1.594  -0.788  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.737   1.637  -1.028  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1       -1.764  -0.325  -0.033  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -2.097  -0.015  -0.945  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.518   0.352   1.009  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.986   0.335   0.656  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1       -4.734  -0.845   0.816  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1       -6.068  -0.822   0.466  0.00  0.00    +0.167 A 
ATOM     24  O   LIG    1       -6.931  -1.868   0.560  0.00  0.00    -0.453 OA
ATOM     25  C   LIG    1       -8.143  -1.266   0.059  0.00  0.00    +0.466 C 
ATOM     26  O   LIG    1       -7.983   0.119  -0.315  0.00  0.00    -0.453 OA
ATOM     27  C   LIG    1       -6.667   0.310  -0.033  0.00  0.00    +0.166 A 
ATOM     28  C   LIG    1       -5.967   1.482  -0.213  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1       -4.611   1.491   0.133  0.00  0.00    +0.009 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4