REMARK  Name = BDB008474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.219   2.713   1.484  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1        0.907   2.657  -0.026  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1        1.775   1.567  -0.720  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1        1.222   0.209  -0.441  0.00  0.00    +0.029 A 
ATOM      5  N   LIG    1        1.893  -0.983  -0.544  0.00  0.00    -0.341 N 
ATOM      6  C   LIG    1        1.045  -2.017  -0.185  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -0.191  -1.444   0.147  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -1.247  -2.245   0.574  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -1.027  -3.639   0.637  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.199  -4.205   0.295  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.559  -1.698   0.977  0.00  0.00    +0.275 A 
ATOM     12  O   LIG    1       -3.347  -2.544   1.424  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -2.933  -0.339   0.902  0.00  0.00    -0.227 N 
ATOM     14  N   LIG    1       -2.261   0.802   0.526  0.00  0.00    -0.172 NA
ATOM     15  C   LIG    1       -1.043   0.963   0.133  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1        1.260  -3.402  -0.120  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -0.070  -0.067  -0.041  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -0.607   2.383  -0.245  0.00  0.00    +0.064 C 
ATOM     19  C   LIG    1        1.256   4.028  -0.635  0.00  0.00    +0.011 C 
ENDROOT
BRANCH  13  20
ATOM     20  C   LIG    1       -4.333  -0.029   1.258  0.00  0.00    +0.175 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.200   0.222   0.020  0.00  0.00    +0.179 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -5.468  -0.985  -0.687  0.00  0.00    -0.393 OA
ATOM     23  H   LIG    1       -5.944  -0.744  -1.498  0.00  0.00    +0.209 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  13  20
BRANCH   5  24
ATOM     24  C   LIG    1        3.276  -1.147  -0.955  0.00  0.00    +0.150 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.227  -1.188   0.233  0.00  0.00    +0.177 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.567  -1.310  -0.233  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1        6.140  -1.354   0.553  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6