REMARK  Name = BDB047176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.823   0.528  -1.113  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.826  -0.132  -0.172  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -3.094   0.589   0.119  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -3.998  -0.025   0.984  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -5.212   0.594   1.305  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -5.523   1.836   0.755  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.624   2.456  -0.112  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.664  -1.338   1.557  0.00  0.00    +0.272 A 
ATOM      9  O   LIG    1       -4.429  -1.915   2.322  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -2.456  -1.869   1.180  0.00  0.00    -0.242 N 
ATOM     11  H   LIG    1       -2.203  -2.774   1.565  0.00  0.00    +0.192 HD
ATOM     12  C   LIG    1       -3.412   1.837  -0.432  0.00  0.00    +0.010 A 
ATOM     13  N   LIG    1       -1.553  -1.295   0.343  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  C   LIG    1        2.768  -0.720  -0.647  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        1.565  -0.016  -0.477  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        0.466  -0.231  -1.324  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        0.575  -1.179  -2.349  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.763  -1.885  -2.531  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.853  -1.656  -1.688  0.00  0.00    +0.013 A 
BRANCH  14  23
ATOM     20  C   LIG    1        5.836   0.899   2.844  0.00  0.00    +0.091 C 
ATOM     21  C   LIG    1        5.256   0.166   1.704  0.00  0.00    +0.169 A 
ATOM     22  N   LIG    1        3.982   0.392   1.252  0.00  0.00    -0.192 NA
ATOM     23  C   LIG    1        3.884  -0.461   0.255  0.00  0.00    +0.258 A 
ATOM     24  O   LIG    1        5.025  -1.193   0.065  0.00  0.00    -0.333 OA
ATOM     25  N   LIG    1        5.939  -0.771   1.035  0.00  0.00    -0.061 NA
ENDBRANCH  14  23
ENDBRANCH   1  16
TORSDOF 3