REMARK  Name = BDB059089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.218   0.019  -0.247  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        1.315   1.130  -0.608  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.098   0.946  -0.015  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -0.701  -0.343  -0.404  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.239  -1.466  -0.537  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        1.576  -1.225   0.197  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.073  -0.479  -0.404  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1       -2.607  -1.616  -0.947  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1       -2.018  -2.301  -1.383  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1       -3.945  -1.857  -1.034  0.00  0.00    +0.256 A 
ATOM     11  O   LIG    1       -4.391  -2.871  -1.560  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -4.814  -0.816  -0.455  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -6.297  -1.020  -0.502  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -7.082   0.253  -0.180  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -6.458   0.999   0.995  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1       -5.005   1.377   0.697  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -4.204   0.262   0.065  0.00  0.00    +0.053 A 
ATOM     18  N   LIG    1       -2.844   0.446   0.085  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  C   LIG    1        6.386   0.684   0.162  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        5.765  -0.344   0.861  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        4.384  -0.561   0.723  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        3.579   0.236  -0.106  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        4.236   1.262  -0.803  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        5.613   1.485  -0.672  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1        8.540   0.210   1.044  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        7.714   1.004   0.202  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 3