REMARK  Name = BDB045897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.951  -1.135  -1.497  0.00  0.00    -0.045 A 
ATOM      2  C   LIG    1       -2.021  -1.259  -0.456  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.743  -0.698  -0.568  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.376  -0.011  -1.724  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.301   0.109  -2.764  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.576  -0.449  -2.657  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.334  -1.732  -1.370  0.00  0.00    +0.065 C 
BRANCH   7   8
ATOM      8  CA  LIG    1       -5.451  -0.676  -1.267  0.00  0.00    +0.168 C 
BRANCH   8   9
ATOM      9  N   LIG    1       -5.361   0.114   0.009  0.00  0.00    -0.304 NA
ATOM     10  H   LIG    1       -4.366   0.265   0.211  0.00  0.00    +0.123 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -5.963   1.450  -0.169  0.00  0.00    +0.081 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.546   3.584   1.038  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -5.932   2.198   1.164  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  14
ATOM     14  C   LIG    1       -6.791  -1.427  -1.286  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -7.253  -2.009  -2.254  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  OXT LIG    1       -7.400  -1.404  -0.071  0.00  0.00    -0.480 OA
ATOM     17  HXT LIG    1       -6.813  -0.862   0.514  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  O   LIG    1        0.830   0.579  -1.976  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.866   0.488  -0.996  0.00  0.00    +0.235 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.649  -0.815  -1.143  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.735  -0.926  -0.138  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.823  -1.728   0.980  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        2.955  -2.740   1.605  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        5.014  -1.460   1.595  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        5.598  -0.503   0.805  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        4.867  -0.151  -0.237  0.00  0.00    -0.214 NA
BRANCH  25  27
ATOM     27  C   LIG    1        6.916  -0.022   1.212  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        7.588   0.916   0.412  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.851   1.393   0.773  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.459   0.937   1.939  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.806   0.008   2.746  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.542  -0.468   2.385  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 12