REMARK  Name = BDB060389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.025   0.049   0.529  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        0.835   0.086   1.643  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        0.545   0.350   2.571  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.105  -0.287   1.285  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        2.014  -0.545  -0.074  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1        3.156  -0.960  -0.779  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        4.367  -1.105  -0.088  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        4.416  -0.831   1.290  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        3.287  -0.417   2.010  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1        0.733  -0.332  -0.521  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.163   1.028   0.411  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -3.475   1.052   1.623  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -2.110   0.735   1.679  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -1.403   0.387   0.522  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.103   0.362  -0.692  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -3.465   0.677  -0.749  0.00  0.00    +0.024 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -6.404   1.740   1.260  0.00  0.00    +0.243 C 
ATOM     18  N   LIG    1       -5.533   1.329   0.274  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1       -5.906   1.272  -0.664  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1       -6.142   1.983   2.432  0.00  0.00    -0.270 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -8.400   1.056  -0.034  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -7.798   1.962   0.756  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -8.468   3.208   1.246  0.00  0.00    +0.048 C 
ENDBRANCH  17  22
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   7  24
ATOM     24  N   LIG    1        5.578  -1.512  -0.696  0.00  0.00    -0.282 N 
ATOM     25  H   LIG    1        6.367  -1.571  -0.072  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1        5.779  -1.867  -2.015  0.00  0.00    +0.243 C 
ATOM     27  O   LIG    1        4.918  -1.911  -2.888  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        7.207  -2.223  -2.348  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        8.334  -1.845  -1.437  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1        7.429  -2.850  -3.516  0.00  0.00    +0.017 C 
ENDBRANCH  26  28
ENDBRANCH   7  24
TORSDOF 5