REMARK  Name = BDB017135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.987  -1.441  -0.450  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        1.120  -2.541  -0.986  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        3.254   1.597   0.100  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        4.436   1.197  -0.573  0.00  0.00    -0.000 A 
ATOM      5  C   LIG    1        4.453  -0.075  -1.193  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        5.605  -0.508  -1.869  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        6.741   0.296  -1.942  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        6.741   1.547  -1.339  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.318  -0.899  -1.130  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.152  -0.497  -0.464  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.604   1.994  -0.662  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.128   0.756   0.150  0.00  0.00    +0.031 A 
BRANCH   3  14
ATOM     13  N   LIG    1        3.070   3.899   1.289  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1        3.162   2.873   0.755  0.00  0.00    +0.100 C 
ENDBRANCH   3  14
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  C   LIG    1       -0.315  -1.035   0.234  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -1.496  -1.819  -0.359  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -2.785  -1.508   0.274  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -2.742  -1.667   1.728  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -1.556  -0.981   2.417  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -0.230  -1.304   1.738  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.466  -0.335  -0.268  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -4.992  -0.507  -0.268  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -5.539   0.894  -0.549  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -4.399   1.867  -0.243  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -3.312   1.024   0.417  0.00  0.00    +0.019 C 
ENDBRANCH  17  21
ENDBRANCH   1  15
TORSDOF 4