REMARK  Name = BDB048129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.007   2.067   0.675  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -2.019   1.092   0.779  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1       -0.801   1.173   0.199  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -0.551   2.283  -0.528  0.00  0.00    +0.215 A 
ATOM      5  C   LIG    1       -1.459   3.316  -0.687  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -2.704   3.205  -0.076  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.348   1.904   1.343  0.00  0.00    +0.051 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.444   1.235   0.490  0.00  0.00    +0.102 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.784   2.134  -0.682  0.00  0.00    +0.308 C 
ATOM     10  O   LIG    1       -6.266   3.253  -0.588  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -5.479   1.635  -1.891  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1       -5.729   2.343  -2.520  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -5.098  -0.219   0.118  0.00  0.00    +0.015 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -5.956  -2.448  -0.695  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -6.325  -1.014  -0.345  0.00  0.00    -0.003 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.673   2.448  -1.144  0.00  0.00    -0.476 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.548   1.320  -1.035  0.00  0.00    +0.237 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.344   1.362   0.269  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.207   0.166   0.430  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        2.910  -1.060   0.986  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        1.718  -1.663   1.605  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1        4.026  -1.842   0.899  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1        4.957  -1.041   0.286  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1        4.510   0.165  -0.015  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1        6.277  -1.621   0.054  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        6.591  -2.934   0.434  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        7.864  -3.462   0.198  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.839  -2.683  -0.421  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.544  -1.377  -0.805  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.272  -0.850  -0.569  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11