REMARK  Name = BDB003629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.345  -0.901   0.204  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.285  -1.603  -0.534  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        0.076  -0.671  -0.753  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -0.394  -0.012   0.476  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -1.654   0.583   0.621  0.00  0.00    +0.228 C 
ATOM      6  O   LIG    1       -1.886   1.331   1.578  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        0.675   0.530   1.335  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        1.868  -0.420   1.523  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -2.757   0.275  -0.419  0.00  0.00    +0.142 C 
ATOM     10  C   LIG    1       -3.792  -0.660   0.169  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -5.113  -0.234   0.330  0.00  0.00    +0.133 A 
ATOM     12  C   LIG    1       -6.069  -1.087   0.887  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -5.717  -2.378   1.279  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.405  -2.817   1.115  0.00  0.00    +0.001 A 
ATOM     15  O   LIG    1       -5.564   1.010  -0.035  0.00  0.00    -0.455 OA
ATOM     16  C   LIG    1       -4.713   1.845  -0.715  0.00  0.00    +0.133 A 
ATOM     17  C   LIG    1       -5.274   3.034  -1.188  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -4.495   3.943  -1.904  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.153   3.663  -2.147  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -2.590   2.478  -1.672  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -3.448  -1.964   0.563  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -3.367   1.559  -0.946  0.00  0.00    +0.011 A 
ENDBRANCH   5   9
BRANCH   1  24
ATOM     23  C   LIG    1        4.765  -0.717   0.574  0.00  0.00    +0.141 A 
ATOM     24  C   LIG    1        3.621  -1.493   0.273  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1        3.834  -2.863   0.048  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        5.110  -3.435   0.153  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.208  -2.649   0.488  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.036  -1.287   0.705  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  O   LIG    1        4.683   0.641   0.793  0.00  0.00    -0.490 OA
BRANCH  29  31
ATOM     30  C   LIG    1        4.492   2.822  -0.150  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1        4.590   1.338  -0.454  0.00  0.00    +0.226 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH   1  24
TORSDOF 4