REMARK  Name = BDB000138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.817  -0.949   1.268  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        2.892  -1.106   0.442  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        3.287  -1.125  -0.968  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1        4.747  -1.358  -0.856  0.00  0.00    -0.288 N 
ATOM      5  C   LIG    1        5.239  -1.518   0.544  0.00  0.00    +0.165 C 
ATOM      6  C   LIG    1        5.524  -1.372  -1.994  0.00  0.00    +0.255 C 
ATOM      7  O   LIG    1        5.009  -1.208  -3.107  0.00  0.00    -0.272 OA
ATOM      8  C   LIG    1        3.981  -1.322   1.283  0.00  0.00    +0.087 A 
ATOM      9  N   LIG    1        3.678  -1.314   2.575  0.00  0.00    -0.175 NA
ATOM     10  N   LIG    1        2.337  -1.080   2.546  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1        1.814  -1.010   3.416  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -0.448  -0.550   1.996  0.00  0.00    +0.249 C 
ATOM     13  N   LIG    1        0.488  -0.712   0.986  0.00  0.00    -0.266 N 
ATOM     14  H   LIG    1        0.222  -0.594   0.017  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1       -0.188  -0.567   3.197  0.00  0.00    -0.270 OA
BRANCH  12  19
ATOM     16  C   LIG    1       -4.542   0.197   0.773  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -3.687  -0.609   0.001  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -2.360  -0.867   0.376  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -1.847  -0.311   1.548  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -2.677   0.475   2.346  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -3.999   0.726   1.955  0.00  0.00    +0.024 A 
BRANCH  16  26
ATOM     22  C   LIG    1       -9.922   1.109   0.253  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1       -8.664   1.011  -0.481  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1       -8.086  -0.342  -0.342  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -6.558  -0.404  -0.576  0.00  0.00    +0.120 C 
ATOM     26  N   LIG    1       -5.848   0.450   0.392  0.00  0.00    -0.327 N 
ATOM     27  C   LIG    1       -6.601   1.599   0.922  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -7.702   2.053  -0.067  0.00  0.00    +0.103 C 
ENDBRANCH  16  26
ENDBRANCH  12  19
ENDBRANCH   1  13
BRANCH   6  29
ATOM     29  C   LIG    1        7.047  -1.545  -1.851  0.00  0.00    +0.282 C 
ATOM     30  F   LIG    1        7.365  -2.415  -0.840  0.00  0.00    -0.230 F 
BRANCH  29  31
ATOM     31  C   LIG    1        7.763  -0.214  -1.717  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1        7.638   0.774  -2.707  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        8.304   1.994  -2.580  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        9.107   2.240  -1.469  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        9.250   1.264  -0.485  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1        8.585   0.043  -0.609  0.00  0.00    +0.007 A 
ENDBRANCH  29  31
ENDBRANCH   6  29
TORSDOF 5