REMARK  Name = BDB029513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.455  -2.139   0.615  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.625  -1.419   0.458  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -1.757   0.027   0.303  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -3.259   0.258   0.082  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -3.706   1.610   0.609  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -3.007   2.337   1.307  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -4.977   1.990   0.258  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -5.247   2.897   0.620  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -5.562   1.702  -0.948  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -6.431   2.432  -1.417  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -5.103   0.443  -1.643  0.00  0.00    +0.097 C 
ATOM     12  C   LIG    1       -3.621   0.181  -1.410  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -3.872  -0.881   0.919  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.907  -2.042   0.726  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1       -0.426  -3.322   0.943  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  22
ATOM     16  C   LIG    1        6.531   1.611  -0.723  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        5.165   1.045  -1.032  0.00  0.00    +0.217 C 
ATOM     18  N   LIG    1        4.520   0.443   0.034  0.00  0.00    -0.271 N 
ATOM     19  C   LIG    1        3.252  -0.166  -0.008  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.914  -0.658   1.255  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1        1.707  -1.305   1.478  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1        0.827  -1.440   0.400  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        1.171  -0.969  -0.879  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        3.993  -0.394   2.253  0.00  0.00    +0.056 C 
ATOM     25  C   LIG    1        2.392  -0.318  -1.085  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        5.048   0.326   1.404  0.00  0.00    +0.118 C 
ATOM     27  O   LIG    1        4.709   1.147  -2.171  0.00  0.00    -0.276 OA
ENDBRANCH   1  22
TORSDOF 1