REMARK  Name = BDB023960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.215   5.575  -0.751  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.985   4.330  -0.391  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.252   3.208  -0.025  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.040   2.035   0.407  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1        0.194   0.811   0.388  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.533  -0.553   0.581  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.559  -1.333   0.516  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.574  -0.488   0.240  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.169   0.811   0.186  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.978   2.026  -0.070  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.169   3.261   0.385  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        2.215   4.334  -0.438  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.849  -1.118   0.862  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.870  -1.185  -0.126  0.00  0.00    -0.009 A 
ATOM     15  C   LIG    1        4.136  -1.700   0.252  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1        5.174  -1.771  -0.692  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        4.982  -1.350  -2.007  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.745  -0.857  -2.399  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.349  -2.142   1.567  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        3.331  -2.090   2.517  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.702  -0.779  -1.473  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        2.087  -1.581   2.166  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1       -2.913  -1.023   0.032  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -3.008  -1.809  -1.284  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -4.104  -2.865  -1.223  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1       -5.172  -2.398  -0.405  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -4.819  -2.352   0.979  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1       -3.390  -1.869   1.213  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2