REMARK  Name = BDB008439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.726  -3.539  -0.911  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -2.687  -2.177  -0.192  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1       -1.270  -1.557  -0.378  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -1.287  -0.103  -0.032  0.00  0.00    +0.029 A 
ATOM      5  N   LIG    1       -0.204   0.678   0.285  0.00  0.00    -0.342 N 
ATOM      6  C   LIG    1       -0.629   1.972   0.541  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -2.020   1.988   0.378  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -2.734   3.168   0.588  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -2.022   4.327   0.951  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.637   4.306   1.099  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -4.199   3.223   0.453  0.00  0.00    +0.272 A 
ATOM     12  O   LIG    1       -4.759   4.301   0.680  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -4.997   2.158   0.095  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -5.975   2.437   0.061  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -4.821   0.860  -0.266  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -3.715   0.192  -0.315  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        0.085   3.128   0.898  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -2.411   0.700  -0.001  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -3.782  -1.259  -0.801  0.00  0.00    +0.064 C 
ATOM     20  C   LIG    1       -2.976  -2.419   1.304  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   5  21
ATOM     21  C   LIG    1        1.184   0.233   0.343  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.882   0.377  -1.017  0.00  0.00    +0.106 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.271  -0.096  -1.088  0.00  0.00    -0.301 NA
ATOM     24  C   LIG    1        3.434  -1.540  -0.892  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1        4.220  -1.901   0.366  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        5.600  -1.245   0.377  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        5.609   0.115  -0.321  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1        4.217   0.743  -0.349  0.00  0.00    +0.084 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 3