REMARK  Name = BDB061628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.926  -0.160  -1.570  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        1.076  -1.067  -0.516  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        1.988  -0.827   0.526  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1        2.010  -1.799   1.673  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        2.810   0.312   0.470  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        2.573   1.297  -0.504  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        3.232   2.647  -0.481  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        1.658   1.032  -1.537  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -0.071  -0.418  -2.672  0.00  0.00    +0.184 C 
BRANCH   9  13
ATOM     10  N   LIG    1       -3.379   0.434  -1.489  0.00  0.00    -0.250 N 
ATOM     11  C   LIG    1       -2.385  -0.518  -1.653  0.00  0.00    +0.351 A 
ATOM     12  O   LIG    1       -2.341  -1.681  -1.279  0.00  0.00    -0.244 OA
ATOM     13  N   LIG    1       -1.370   0.133  -2.369  0.00  0.00    -0.208 N 
ATOM     14  N   LIG    1       -1.706   1.441  -2.608  0.00  0.00    -0.157 NA
ATOM     15  C   LIG    1       -2.883   1.548  -2.076  0.00  0.00    +0.230 A 
BRANCH  10  20
ATOM     16  C   LIG    1       -8.455  -0.148   1.173  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -7.146  -0.004   0.456  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -6.255  -1.074   0.381  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -5.017  -0.930  -0.261  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -4.629   0.287  -0.837  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1       -5.530   1.360  -0.741  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -6.768   1.219  -0.100  0.00  0.00    +0.005 A 
ENDBRANCH  10  20
ENDBRANCH   9  13
ENDBRANCH   1   9
BRANCH   5  23
ATOM     23  O   LIG    1        3.730   0.535   1.459  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.073   0.032   1.244  0.00  0.00    +0.200 C 
ATOM     25  C   LIG    1        5.854   0.890   0.240  0.00  0.00    +0.067 C 
ATOM     26  C   LIG    1        5.183  -1.445   0.841  0.00  0.00    +0.067 C 
BRANCH  24  27
ATOM     27  C   LIG    1        5.747   0.177   2.618  0.00  0.00    +0.348 C 
ATOM     28  O   LIG    1        6.790   0.765   2.869  0.00  0.00    -0.247 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.086  -0.446   3.620  0.00  0.00    -0.478 OA
ATOM     30  H   LIG    1        5.609  -0.229   4.419  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 7