REMARK  Name = BDB052834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.539  -0.262  -0.974  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1        0.603  -1.568  -1.543  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.509  -2.284  -1.095  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -0.647  -3.656  -1.397  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.298  -4.268  -2.225  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.370  -3.549  -2.733  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.298  -1.411  -0.333  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        1.535  -2.204  -2.395  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.635  -0.176  -0.236  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.218   1.724  -2.000  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.482   0.819  -1.211  0.00  0.00    +0.251 C 
ATOM     12  N   LIG    1        2.689   0.771  -0.513  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.625   1.886  -0.648  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.333   2.204   0.680  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        5.028   1.069   1.312  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        6.031   1.137   1.142  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        4.548  -0.231   0.818  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        3.049  -0.259   0.471  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.566  -1.742   0.247  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -3.485  -2.527  -0.464  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.724  -2.845   0.099  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.054  -2.381   1.371  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.150  -1.592   2.079  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.912  -1.270   1.520  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  N   LIG    1       -1.208   0.906   0.398  0.00  0.00    -0.316 N 
ATOM     26  C   LIG    1       -2.171   1.676  -0.418  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1       -2.768   2.813   0.403  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -1.693   3.799   0.861  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1       -0.313   3.153   0.974  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -0.409   1.682   1.362  0.00  0.00    +0.106 C 
ENDBRANCH   9  25
TORSDOF 3