REMARK  Name = BDB060912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.124  -1.926  -0.433  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1        3.837  -0.622  -0.203  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        2.583  -0.069  -0.592  0.00  0.00    +0.140 A 
ATOM      4  N   LIG    1        1.664  -0.920  -1.193  0.00  0.00    -0.288 N 
ATOM      5  C   LIG    1        0.531  -0.164  -1.450  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1        0.858   1.121  -1.049  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        1.936  -2.262  -1.454  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1        2.118   1.157  -0.492  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        3.124  -2.776  -1.094  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.347  -3.373  -2.322  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.356  -3.134  -0.859  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.381  -2.492  -0.051  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.912  -2.532   1.218  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        5.470  -2.069   2.547  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.119  -3.159   1.174  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.398  -3.543  -0.124  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  N   LIG    1       -0.602  -0.671  -2.025  0.00  0.00    -0.318 N 
ATOM     18  H   LIG    1       -1.235   0.048  -2.400  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.426  -1.587  -1.197  0.00  0.00    +0.224 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.697  -0.890  -0.717  0.00  0.00    +0.325 C 
ATOM     21  O   LIG    1       -3.108   0.170  -1.174  0.00  0.00    -0.249 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -3.293  -1.629   0.257  0.00  0.00    -0.458 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.509  -1.166   0.900  0.00  0.00    +0.105 C 
ATOM     24  C   LIG    1       -5.665  -1.068  -0.101  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -4.276   0.157   1.639  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -4.843  -2.253   1.932  0.00  0.00    +0.055 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  27
ATOM     27  C   LIG    1        0.036   2.363  -1.107  0.00  0.00    +0.063 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.713   2.606   0.205  0.00  0.00    +0.041 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.571   3.846   0.141  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -1.072   5.078   0.583  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -1.861   6.228   0.507  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.151   6.156  -0.015  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.653   4.936  -0.464  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.866   3.786  -0.389  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 9