REMARK  Name = BDB046100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.650  -1.220   0.458  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.475  -1.113   0.104  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -2.892   0.235  -0.113  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.503   0.492  -0.168  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.075   1.813  -0.321  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.955   2.896  -0.430  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.322   2.628  -0.376  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.298   1.800  -0.327  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.878   2.624  -0.397  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        0.781   0.521  -0.189  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -0.322  -0.318  -0.103  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -0.315  -1.807   0.006  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.480  -2.437  -0.750  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -3.783   1.323  -0.215  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -2.754  -2.265  -0.079  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -3.328  -3.090   0.055  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        2.213   0.242  -0.145  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        3.058   0.688  -1.170  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.429   0.423  -1.121  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.965  -0.287  -0.049  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.133  -0.734   0.975  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.762  -0.471   0.927  0.00  0.00    +0.010 A 
ENDBRANCH  10  17
TORSDOF 1