REMARK  Name = BDB051660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.595   2.552  -2.021  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.645   1.950  -1.538  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -5.818   0.939  -0.458  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.735   0.140  -0.046  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -4.906  -0.742   1.036  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -3.725  -1.533   1.524  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -2.450  -0.712   1.325  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -2.261  -0.355  -0.084  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -1.087  -0.572  -0.810  0.00  0.00    +0.230 C 
ATOM     10  O   LIG    1       -1.042  -0.320  -2.017  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -6.162  -0.870   1.643  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -7.238  -0.098   1.203  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.418   0.207  -0.811  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -3.201   1.669  -1.256  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -7.066   0.813   0.162  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -4.360   2.192  -1.956  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -4.256   2.952  -2.618  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        0.130  -1.116  -0.029  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.361  -1.163  -0.840  0.00  0.00    -0.291 NA
ATOM     20  C   LIG    1        2.387  -1.999  -0.182  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        3.838  -1.667  -0.596  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        4.164  -0.282  -0.225  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        3.055   0.686  -0.280  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        1.892   0.179  -1.167  0.00  0.00    +0.104 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.473   0.145  -0.065  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        6.568  -0.610  -0.516  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        7.890  -0.179  -0.346  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        8.154   1.028   0.290  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.095   1.797   0.755  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.777   1.357   0.579  0.00  0.00    +0.023 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 3