REMARK  Name = BDB032954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.940   0.108   2.540  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -0.812  -0.635   2.253  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        0.211  -1.024   3.279  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1        1.201  -2.081   2.765  0.00  0.00    +0.090 C 
ATOM      5  N   LIG    1        1.699  -1.835   1.404  0.00  0.00    -0.292 NA
ATOM      6  C   LIG    1        0.551  -1.783   0.468  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -0.635  -0.951   0.917  0.00  0.00    +0.065 A 
ATOM      8  N   LIG    1       -1.522  -0.598  -0.036  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1       -2.597   0.115   0.328  0.00  0.00    +0.220 A 
ATOM     10  N   LIG    1       -2.818   0.475   1.600  0.00  0.00    -0.200 NA
ENDROOT
BRANCH   9  11
ATOM     11  N   LIG    1       -3.500   0.521  -0.658  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -3.497  -0.330  -1.856  0.00  0.00    +0.136 C 
ATOM     13  C   LIG    1       -4.456   0.244  -2.910  0.00  0.00    +0.179 C 
ATOM     14  O   LIG    1       -5.780   0.424  -2.381  0.00  0.00    -0.377 OA
ATOM     15  C   LIG    1       -5.741   1.340  -1.274  0.00  0.00    +0.179 C 
ATOM     16  C   LIG    1       -4.843   0.821  -0.140  0.00  0.00    +0.136 C 
ENDBRANCH   9  11
BRANCH   1  17
ATOM     17  N   LIG    1       -2.219   0.533   3.847  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -2.298  -0.267   4.465  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -1.468   1.130   4.178  0.00  0.00    +0.144 HD
ENDBRANCH   1  17
BRANCH   5  20
ATOM     20  C   LIG    1        2.528  -0.612   1.327  0.00  0.00    +0.122 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.370  -0.526   0.065  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1        3.517   0.702  -0.596  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1        4.324   0.743  -1.757  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.463   1.963  -2.433  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        3.818   3.097  -1.958  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.057   2.971  -0.816  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        4.975  -0.412  -2.221  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        4.840  -1.616  -1.540  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1        2.905   1.814  -0.136  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        4.048  -1.672  -0.400  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 4