REMARK  Name = BDB046656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.140  -0.058  -0.064  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -1.276   0.653   1.105  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1       -0.518   0.969   1.689  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.609   0.882   1.338  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -3.255   0.309   0.247  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.658   0.381   0.185  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.357   1.025   1.224  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.671   1.589   2.302  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.276   1.531   2.381  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.332  -0.276  -0.590  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.552  -0.889  -0.484  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        1.339  -0.479   0.099  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        0.142  -0.484  -0.637  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        0.178  -0.922  -1.969  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        1.375  -1.331  -2.558  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        2.555  -1.315  -1.820  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1        3.835  -0.897   0.323  0.00  0.00    +0.119 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.172  -0.331   0.418  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        4.904  -0.073  -0.266  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        4.585   1.355  -0.202  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1       -5.391  -0.191  -0.961  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -5.059  -0.013  -2.123  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -6.498  -0.936  -0.648  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -6.905  -1.446  -1.422  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -6.622  -1.317   0.279  0.00  0.00    +0.145 HD
ENDBRANCH   6  21
TORSDOF 4