REMARK  Name = BDB003112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.683  -1.102  -0.554  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1       -1.513  -1.435  -1.864  0.00  0.00    -0.338 OA
ATOM      3  N   LIG    1       -0.151  -1.321  -2.127  0.00  0.00    -0.056 NA
ATOM      4  C   LIG    1        0.372  -0.931  -0.951  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.564  -0.783   0.052  0.00  0.00    -0.191 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.793  -0.679  -0.733  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        2.256  -0.277   0.525  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        3.618  -0.031   0.749  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        4.550  -0.184  -0.287  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        4.089  -0.587  -1.548  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        2.726  -0.832  -1.766  0.00  0.00    +0.014 A 
BRANCH   9  12
ATOM     12  N   LIG    1        5.941   0.066  -0.062  0.00  0.00    -0.323 N 
ATOM     13  C   LIG    1        6.529   0.467   1.126  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1        7.888   0.604   0.946  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        8.163   0.279  -0.395  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        6.963  -0.045  -0.989  0.00  0.00    +0.091 A 
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   1  17
ATOM     17  C   LIG    1       -3.066  -1.137  -0.029  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.750   0.217  -0.211  0.00  0.00    +0.044 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -7.785   0.118   1.304  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -7.535  -0.188  -0.033  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.230  -0.150  -0.526  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -5.164   0.199   0.314  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1       -5.426   0.500   1.657  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -6.731   0.461   2.148  0.00  0.00    +0.000 A 
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5