REMARK  Name = BDB013688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.733   0.474  -0.558  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        2.095   0.968  -0.220  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        3.102   0.027  -0.041  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        4.400   0.434   0.301  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        4.691   1.789   0.449  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.690   2.738   0.246  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.804  -1.400  -0.238  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        3.685  -2.234  -0.035  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        1.518  -1.706  -0.664  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1        1.139  -3.090  -0.876  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        2.396   2.332  -0.091  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1        0.506  -0.792  -0.776  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.315   1.375  -0.632  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -0.233   2.226  -0.090  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -1.701   0.951  -0.816  0.00  0.00    +0.118 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.287   0.360   0.484  0.00  0.00    +0.102 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -4.235  -0.210   1.780  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -3.750   0.149   0.445  0.00  0.00    -0.307 NA
ATOM     19  C   LIG    1       -4.113  -0.904  -0.508  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 4