REMARK  Name = BDB023857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.585  -0.344   0.108  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1        0.510   0.546   0.031  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.532   2.033   0.043  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        1.888   2.527  -0.257  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.017   1.752   0.286  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        3.007   0.274  -0.162  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1        2.130   3.838  -0.650  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1        3.259   4.329  -0.677  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1        0.939   4.664  -1.069  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1        1.627  -0.262  -0.069  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1        1.177  -1.551  -0.115  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -0.169  -1.613   0.035  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1       -3.757   0.946   1.639  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1       -4.670   0.719   0.602  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -4.276   0.114  -0.605  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -2.931  -0.268  -0.791  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -2.623  -0.866  -2.026  0.00  0.00    +0.119 A 
ATOM     18  N   LIG    1       -3.506  -1.084  -3.032  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -4.776  -0.703  -2.807  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -1.998  -0.015   0.248  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -5.204  -0.111  -1.631  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -2.420   0.588   1.446  0.00  0.00    +0.018 A 
BRANCH  13  24
ATOM     23  C   LIG    1       -5.324   1.431   3.507  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -4.142   1.596   2.898  0.00  0.00    +0.000 C 
ENDBRANCH  13  24
ENDBRANCH   1  20
BRANCH  11  25
ATOM     25  C   LIG    1        1.863  -2.830  -0.308  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        2.915  -2.873  -1.425  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        4.356  -2.791  -0.947  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1        4.579  -3.603   0.199  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        3.783  -3.204   1.309  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1        2.320  -3.458   1.013  0.00  0.00    +0.055 C 
ENDBRANCH  11  25
TORSDOF 3