REMARK  Name = BDB059465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.908   0.255   2.943  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.478   0.318   2.380  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -0.822   0.105   1.039  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.187  -0.200  -0.201  0.00  0.00    +0.104 A 
ATOM      5  N   LIG    1       -1.084  -0.353  -1.189  0.00  0.00    -0.168 NA
ATOM      6  N   LIG    1       -2.273  -0.096  -0.601  0.00  0.00    -0.243 N 
ATOM      7  C   LIG    1       -2.170   0.175   0.736  0.00  0.00    +0.164 A 
ATOM      8  N   LIG    1       -3.175   0.450   1.583  0.00  0.00    -0.195 NA
ATOM      9  C   LIG    1       -2.749   0.682   2.826  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1       -1.481   0.614   3.257  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.235  -0.365  -0.482  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.129   0.688  -0.215  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        3.487   0.489  -0.495  0.00  0.00    +0.112 A 
ATOM     14  C   LIG    1        3.896  -0.720  -1.033  0.00  0.00    +0.157 A 
ATOM     15  O   LIG    1        5.247  -0.658  -1.212  0.00  0.00    -0.425 OA
ATOM     16  C   LIG    1        5.574   0.585  -0.760  0.00  0.00    +0.286 A 
ATOM     17  C   LIG    1        3.052  -1.781  -1.331  0.00  0.00    +0.049 A 
ATOM     18  N   LIG    1        4.571   1.314  -0.333  0.00  0.00    -0.196 NA
ATOM     19  C   LIG    1        1.696  -1.572  -1.042  0.00  0.00    +0.014 A 
BRANCH  16  20
ATOM     20  N   LIG    1        6.866   0.915  -0.831  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        7.420   0.403  -1.505  0.00  0.00    +0.147 HD
ATOM     22  H   LIG    1        7.056   1.911  -0.818  0.00  0.00    +0.147 HD
ENDBRANCH  16  20
ENDBRANCH   4  11
BRANCH   6  23
ATOM     23  C   LIG    1       -3.502  -0.133  -1.385  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -3.761  -1.530  -1.949  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1       -3.490   0.920  -2.491  0.00  0.00    +0.032 C 
ENDBRANCH   6  23
BRANCH   9  26
ATOM     26  N   LIG    1       -3.708   0.971   3.777  0.00  0.00    -0.327 N 
ATOM     27  H   LIG    1       -4.596   0.580   3.501  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -3.355   0.728   4.692  0.00  0.00    +0.145 HD
ENDBRANCH   9  26
TORSDOF 4