REMARK  Name = BDB052850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.052  -0.539  -0.801  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -0.142  -1.859  -1.298  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.258  -2.398  -0.652  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -1.617  -3.749  -0.849  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.888  -4.520  -1.760  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.188  -3.978  -2.448  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.792  -1.401   0.169  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1        0.575  -2.656  -2.218  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.996  -0.258   0.066  0.00  0.00    +0.219 A 
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        4.986   0.435  -1.336  0.00  0.00    +0.025 C 
ATOM     11  C   LIG    1        4.434   1.254  -0.164  0.00  0.00    +0.068 C 
ATOM     12  N   LIG    1        4.525   0.440   1.078  0.00  0.00    -0.311 NA
ATOM     13  H   LIG    1        4.576  -0.545   0.815  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        3.330   0.619   1.918  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        2.029   0.253   1.175  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        1.983   0.807  -0.181  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1        1.134   0.359  -1.188  0.00  0.00    +0.252 C 
ATOM     18  O   LIG    1        1.296   0.660  -2.369  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        3.016   1.789  -0.497  0.00  0.00    +0.126 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -2.981  -1.512   0.960  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -4.094  -2.208   0.470  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -5.255  -2.310   1.240  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.314  -1.718   2.500  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.215  -1.016   2.990  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.052  -0.908   2.223  0.00  0.00    +0.026 A 
ENDBRANCH   7  20
BRANCH   9  26
ATOM     26  O   LIG    1       -1.336   0.858   0.728  0.00  0.00    -0.439 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.170   2.108   0.184  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1       -0.739   3.118   1.046  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -0.568   4.417   0.568  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -0.845   4.709  -0.768  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.301   3.705  -1.622  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.475   2.405  -1.145  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 4