REMARK  Name = BDB052277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.030  -1.012   0.832  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1        0.655  -0.683   0.622  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.057  -1.715   1.210  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.455  -1.771   1.226  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.185  -0.726   0.620  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.482   0.343  -0.006  0.00  0.00    +0.004 A 
ATOM      7  N   LIG    1        0.890  -2.566   1.708  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1        0.738  -3.435   2.206  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -0.066   0.357   0.006  0.00  0.00    +0.022 A 
ATOM     10  N   LIG    1        2.154  -2.171   1.496  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.178   1.474  -0.659  0.00  0.00    -0.013 A 
ATOM     12  C   LIG    1       -3.065   2.289   0.052  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.688   3.340  -0.603  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -3.489   3.640  -1.904  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -2.630   2.847  -2.577  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -1.962   1.773  -2.010  0.00  0.00    +0.028 A 
ENDBRANCH   6  11
BRANCH   5  17
ATOM     17  N   LIG    1       -3.591  -0.760   0.583  0.00  0.00    -0.329 N 
ATOM     18  C   LIG    1       -4.116  -1.294  -0.689  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1       -5.450  -1.928  -0.308  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -5.177  -2.450   1.091  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -4.352  -1.326   1.706  0.00  0.00    +0.105 C 
ENDBRANCH   5  17
BRANCH   1  23
ATOM     22  C   LIG    1        4.431  -0.528   0.583  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1        3.138  -0.215   0.390  0.00  0.00    +0.031 C 
BRANCH  22  24
ATOM     24  C   LIG    1        5.556   0.303   0.136  0.00  0.00    -0.025 A 
ATOM     25  C   LIG    1        5.570   0.933  -1.115  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        6.671   1.694  -1.515  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        7.774   1.824  -0.672  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.778   1.188   0.567  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.678   0.426   0.967  0.00  0.00    +0.008 A 
ENDBRANCH  22  24
ENDBRANCH   1  23
TORSDOF 4