REMARK  Name = BDB016241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.399  -0.771   0.479  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        0.881  -1.035  -0.009  0.00  0.00    +0.093 A 
ATOM      3  C   LIG    1        1.966  -0.184   0.259  0.00  0.00    +0.145 A 
ATOM      4  O   LIG    1        3.120  -0.608  -0.335  0.00  0.00    -0.487 OA
ATOM      5  C   LIG    1        4.077   0.404  -0.640  0.00  0.00    +0.179 C 
ATOM      6  C   LIG    1        4.819   0.760   0.629  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1        4.111   1.868   1.345  0.00  0.00    +0.221 C 
ATOM      8  N   LIG    1        2.761   1.854   1.493  0.00  0.00    -0.282 N 
ATOM      9  H   LIG    1        2.448   2.641   2.050  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        4.748   2.793   1.856  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        5.030  -0.203  -1.667  0.00  0.00    +0.052 C 
ATOM     12  C   LIG    1        1.778   0.942   1.067  0.00  0.00    +0.076 A 
ATOM     13  C   LIG    1        0.481   1.211   1.538  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -0.598   0.368   1.248  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  15
ATOM     15  O   LIG    1       -1.349  -1.683   0.115  0.00  0.00    -0.483 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -3.297  -2.973   0.593  0.00  0.00    +0.059 C 
ATOM     17  C   LIG    1       -2.655  -1.590   0.706  0.00  0.00    +0.219 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.535  -0.560   0.016  0.00  0.00    +0.081 A 
ATOM     19  N   LIG    1       -4.344   0.188   0.814  0.00  0.00    -0.256 NA
ATOM     20  C   LIG    1       -5.141   1.099   0.214  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -5.178   1.311  -1.153  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.348   0.541  -1.958  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -3.517  -0.409  -1.371  0.00  0.00    +0.027 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 3