REMARK  Name = BDB052238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.469   0.513   0.168  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.122   0.327   0.527  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        3.828  -0.029   1.840  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        2.460  -0.129   1.870  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        1.908  -0.349   2.684  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        1.963   0.131   0.613  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        4.798  -0.211   2.829  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        6.132  -0.024   2.451  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        2.961   0.400  -0.209  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        6.468   0.332   1.143  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.539   0.118   0.257  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -0.459  -0.341   1.127  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.806  -0.331   0.742  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -2.191   0.134  -0.523  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1       -1.194   0.592  -1.393  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        0.150   0.581  -1.007  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.644   0.155  -0.963  0.00  0.00    +0.033 C 
ATOM     18  C   LIG    1       -4.272  -1.255  -0.978  0.00  0.00    +0.089 C 
ATOM     19  N   LIG    1       -5.678  -1.238  -1.409  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1       -5.723  -0.890  -2.368  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -6.481  -0.369  -0.547  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -5.953   1.064  -0.529  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -4.487   1.110  -0.102  0.00  0.00    +0.010 C 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1        6.888   0.234  -1.762  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        7.035   0.405  -2.749  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        7.186  -0.657  -1.393  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1        5.832   0.909  -1.206  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        5.254   1.791  -1.824  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3