REMARK  Name = BDB053910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.249   0.040   0.895  0.00  0.00    +0.040 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        0.976  -0.540   0.168  0.00  0.00    -0.047 A 
ATOM      3  C   LIG    1        0.318  -1.279   1.159  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -1.045  -1.090   1.397  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.772  -0.152   0.655  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -1.115   0.587  -0.335  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        0.248   0.399  -0.574  0.00  0.00    +0.004 A 
BRANCH   2   8
ATOM      8  C   LIG    1        2.453  -0.731  -0.078  0.00  0.00    +0.035 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.291   0.252   0.744  0.00  0.00    +0.005 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.800   0.014   0.625  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.351   0.311  -0.772  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.861   0.073  -0.892  0.00  0.00    -0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1        9.187   0.853  -0.321  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        7.700   1.054  -0.073  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  C   LIG    1       -4.089  -0.876  -0.003  0.00  0.00    +0.041 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.575  -0.682   0.212  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -6.398   0.138  -0.593  0.00  0.00    +0.103 A 
ATOM     18  C   LIG    1       -7.784   0.179  -0.337  0.00  0.00    +0.131 A 
ATOM     19  C   LIG    1       -8.344  -0.528   0.725  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -7.532  -1.309   1.538  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -6.164  -1.389   1.281  0.00  0.00    +0.004 A 
BRANCH  17  22
ATOM     22  C   LIG    1       -5.907   0.969  -1.719  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1       -6.601   1.315  -2.662  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -4.652   1.419  -1.585  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1       -4.511   1.988  -2.371  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  17  22
BRANCH  18  26
ATOM     26  O   LIG    1       -8.675   0.902  -1.091  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1       -8.223   1.214  -1.904  0.00  0.00    +0.292 HD
ENDBRANCH  18  26
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 12