REMARK  Name = BDB003522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.121  -1.213  -0.972  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.016  -2.027  -1.288  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -2.056  -1.175  -1.680  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.313  -1.670  -2.066  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -3.515  -3.053  -2.049  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.499  -3.918  -1.660  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.574   0.116  -1.589  0.00  0.00    -0.342 N 
ATOM      8  C   LIG    1       -1.250  -3.419  -1.279  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -0.266   0.098  -1.178  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        2.273  -1.923  -3.339  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1        2.982  -0.956  -2.424  0.00  0.00    +0.232 C 
ATOM     12  N   LIG    1        2.546  -0.928  -1.108  0.00  0.00    -0.185 N 
ATOM     13  C   LIG    1        1.461  -1.700  -0.493  0.00  0.00    +0.139 C 
ATOM     14  C   LIG    1        1.657  -1.462   0.999  0.00  0.00    +0.087 C 
ATOM     15  C   LIG    1        2.649  -0.331   0.961  0.00  0.00    +0.069 C 
ATOM     16  N   LIG    1        3.161  -0.085  -0.208  0.00  0.00    -0.181 NA
ATOM     17  O   LIG    1        3.892  -0.252  -2.869  0.00  0.00    -0.274 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.038   0.409   2.184  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1        3.953   1.464   2.075  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        4.340   2.181   3.208  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.816   1.848   4.456  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.906   0.798   4.572  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        2.516   0.077   3.439  0.00  0.00    +0.010 A 
ENDBRANCH  15  18
ENDBRANCH   1  13
BRANCH   7  24
ATOM     24  C   LIG    1       -2.304   1.336  -1.917  0.00  0.00    +0.157 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.771   2.054  -0.675  0.00  0.00    -0.028 A 
ATOM     26  C   LIG    1       -3.899   1.608   0.030  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.323   2.271   1.183  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.624   3.384   1.645  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.499   3.834   0.958  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.073   3.173  -0.196  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 4