REMARK  Name = BDB057091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.101  -0.285  -0.090  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -2.879  -0.613   0.838  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -2.147  -0.554  -1.048  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -0.948  -0.898  -0.447  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.780  -0.445   0.439  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -2.291  -0.520  -2.261  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -7.467   0.754   1.924  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -6.582   0.689   0.715  0.00  0.00    -0.049 A 
ATOM      9  C   LIG    1       -5.261   0.230   0.825  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.413   0.188  -0.292  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.896   0.632  -1.523  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -6.206   1.105  -1.639  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -7.044   1.138  -0.525  0.00  0.00    +0.003 A 
ENDBRANCH   1  10
BRANCH   4  14
ATOM     14  C   LIG    1        0.234  -1.182  -1.260  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1        1.271  -1.973  -0.453  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        2.355  -1.054   0.106  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1        3.116  -0.381  -0.959  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        2.307  -0.053  -2.143  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.823   0.114  -1.837  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1        3.842   0.798  -0.454  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.873   0.472   0.606  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        5.925  -0.413   0.327  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        6.883  -0.707   1.298  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.803  -0.116   2.557  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.764   0.768   2.847  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.804   1.062   1.876  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   4  14
TORSDOF 4