REMARK  Name = BDB048834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.020   0.236  -0.148  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1        2.948  -0.730  -0.279  0.00  0.00    +0.168 C 
ATOM      3  C   LIG    1        1.680  -0.066  -0.037  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        2.024   1.268   0.244  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        1.034   2.195   0.528  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.304   1.776   0.523  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.641   0.443   0.232  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.363  -0.489  -0.053  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        3.491   1.440   0.163  0.00  0.00    -0.027 C 
ENDROOT
BRANCH   2  10
ATOM     10  N   LIG    1        3.092  -1.977  -0.961  0.00  0.00    -0.181 N 
ATOM     11  O   LIG    1        3.855  -1.997  -2.167  0.00  0.00    -0.173 OA
ATOM     12  C   LIG    1        2.491  -3.200  -0.443  0.00  0.00    +0.191 C 
ENDBRANCH   2  10
BRANCH   1  13
ATOM     13  C   LIG    1        5.459  -0.056  -0.309  0.00  0.00    +0.338 C 
ATOM     14  O   LIG    1        6.285   0.746  -0.718  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        5.714  -1.315   0.135  0.00  0.00    -0.462 OA
BRANCH  15  17
ATOM     16  C   LIG    1        7.316  -2.331  -1.368  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        7.075  -1.749   0.012  0.00  0.00    +0.229 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   9  18
ATOM     18  C   LIG    1        4.178   2.738   0.436  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1        4.172   3.658  -0.776  0.00  0.00    +0.009 C 
ENDBRANCH   9  18
BRANCH   7  20
ATOM     20  O   LIG    1       -1.909  -0.071   0.197  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.989   0.833   0.431  0.00  0.00    +0.229 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.291   0.046   0.315  0.00  0.00    +0.046 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.505   0.942   0.549  0.00  0.00    +0.038 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.796   0.172   0.439  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1       -7.358  -0.440   1.568  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -8.545  -1.167   1.462  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -9.178  -1.293   0.227  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -8.624  -0.695  -0.903  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.437   0.032  -0.799  0.00  0.00    +0.003 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 10