REMARK  Name = BDB053424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.684   1.065  -0.718  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.068   0.073  -0.386  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.534  -1.173   0.289  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.770  -1.469   0.710  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.468  -2.046   0.408  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.549  -1.410  -0.099  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -0.254  -0.175  -0.568  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.871   0.441  -1.066  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.962  -0.621   0.625  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        5.081  -1.095  -0.074  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        6.206  -0.296  -0.113  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        7.371  -0.597  -0.747  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        8.148   0.584  -0.458  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        7.450   1.548   0.356  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        6.251   0.925   0.516  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.176   1.417   1.222  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.021   0.629   1.279  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.791  -1.957  -0.197  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.827  -2.928   0.095  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.046  -1.325  -0.201  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -3.251  -0.003   0.213  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1       -4.519   0.579   0.143  0.00  0.00    +0.164 A 
ATOM     23  O   LIG    1       -4.627   1.869   0.599  0.00  0.00    -0.485 OA
ATOM     24  C   LIG    1       -5.997   2.236   0.804  0.00  0.00    +0.270 C 
ATOM     25  C   LIG    1       -6.851   1.806  -0.378  0.00  0.00    +0.270 C 
ATOM     26  O   LIG    1       -6.858   0.380  -0.504  0.00  0.00    -0.485 OA
ATOM     27  C   LIG    1       -5.597  -0.141  -0.375  0.00  0.00    +0.162 A 
ATOM     28  C   LIG    1       -5.416  -1.458  -0.780  0.00  0.00    +0.051 A 
ATOM     29  C   LIG    1       -4.149  -2.042  -0.697  0.00  0.00    +0.027 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3