REMARK  Name = BDB051320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.151  -2.344   1.898  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.451  -1.433   1.471  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -4.055  -1.660   0.987  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.506  -2.930   1.170  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -2.220  -3.220   0.727  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -1.510  -2.201   0.085  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.016  -0.912  -0.123  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.992  -0.183  -0.832  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1        0.070  -1.048  -1.015  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -0.248  -2.250  -0.460  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1        0.346  -3.067  -0.462  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -3.327  -0.616   0.353  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -4.018   0.716   0.164  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -5.035   0.973   1.267  0.00  0.00    +0.109 C 
ATOM     15  N   LIG    1       -5.928  -0.146   1.423  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -6.822  -0.022   1.882  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1       -0.999   1.237  -1.322  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.515   2.241  -0.266  0.00  0.00    +0.110 C 
BRANCH  18  19
ATOM     19  N   LIG    1        0.855   2.020   0.167  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        0.987   1.175   0.701  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        1.902   2.324  -0.662  0.00  0.00    +0.302 C 
ATOM     22  N   LIG    1        3.154   1.990  -0.177  0.00  0.00    -0.284 N 
ATOM     23  C   LIG    1        4.261   1.999  -1.125  0.00  0.00    +0.124 C 
ATOM     24  C   LIG    1        4.332   0.713  -1.974  0.00  0.00    +0.100 C 
ATOM     25  N   LIG    1        4.094  -0.583  -1.315  0.00  0.00    -0.314 NA
ATOM     26  H   LIG    1        4.525  -1.311  -1.885  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        4.566  -0.678   0.061  0.00  0.00    +0.082 C 
ATOM     28  C   LIG    1        3.534  -0.145   1.059  0.00  0.00    +0.034 C 
ATOM     29  C   LIG    1        3.440   1.376   1.115  0.00  0.00    +0.110 C 
ATOM     30  O   LIG    1        1.734   2.865  -1.754  0.00  0.00    -0.253 OA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 3